N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine

C79H77Cl3N12O3 — CID 158375513

IUPACN-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine
SMILESCc1cccc(OC2CCN(c3cc(NCc4ccc(Cl)cc4)nc4ccccc34)CC2)c1.Clc1ccc(CNc2cc(N3CCC(Oc4ccncc4)CC3)c3ccccc3n2)cc1.Clc1ccc(CNc2cc(N3CCC(Oc4cnccn4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C28H28ClN3O.C26H25ClN4O.C25H24ClN5O/c1-20-5-4-6-24(17-20)33-23-13-15-32(16-14-23)27-18-28(31-26-8-3-2-7-25(26)27)30-19-21-9-11-22(29)12-10-21;27-20-7-5-19(6-8-20)18-29-26-17-25(23-3-1-2-4-24(23)30-26)31-15-11-22(12-16-31)32-21-9-13-28-14-10-21;26-19-7-5-18(6-8-19)16-29-24-15-23(21-3-1-2-4-22(21)30-24)31-13-9-20(10-14-31)32-25-17-27-11-12-28-25/h2-12,17-18,23H,13-16,19H2,1H3,(H,30,31);1-10,13-14,17,22H,11-12,15-16,18H2,(H,29,30);1-8,11-12,15,17,20H,9-10,13-14,16H2,(H,29,30)
InChIKeyGVDGPSGNSSXZOS-UHFFFAOYSA-N
MW1348.92 g/mol
LogP18.14
Rot. Bonds18

About N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine

N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine (PubChem CID 158375513) has the molecular formula C79H77Cl3N12O3 and a molecular weight of 1348.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine
PubChem CID158375513
Molecular FormulaC79H77Cl3N12O3
Molecular Weight1348.92 g/mol
Exact Mass1346.53
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine
SMILESCc1cccc(OC2CCN(c3cc(NCc4ccc(Cl)cc4)nc4ccccc34)CC2)c1.Clc1ccc(CNc2cc(N3CCC(Oc4ccncc4)CC3)c3ccccc3n2)cc1.Clc1ccc(CNc2cc(N3CCC(Oc4cnccn4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C28H28ClN3O.C26H25ClN4O.C25H24ClN5O/c1-20-5-4-6-24(17-20)33-23-13-15-32(16-14-23)27-18-28(31-26-8-3-2-7-25(26)27)30-19-21-9-11-22(29)12-10-21;27-20-7-5-19(6-8-20)18-29-26-17-25(23-3-1-2-4-24(23)30-26)31-15-11-22(12-16-31)32-21-9-13-28-14-10-21;26-19-7-5-18(6-8-19)16-29-24-15-23(21-3-1-2-4-22(21)30-24)31-13-9-20(10-14-31)32-25-17-27-11-12-28-25/h2-12,17-18,23H,13-16,19H2,1H3,(H,30,31);1-10,13-14,17,22H,11-12,15-16,18H2,(H,29,30);1-8,11-12,15,17,20H,9-10,13-14,16H2,(H,29,30)
InChIKeyGVDGPSGNSSXZOS-UHFFFAOYSA-N
XLogP18.14
TPSA150.84 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001348.92
LogP ≤ 518.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine with MolForge

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Related Compounds

N-[4-(2-amino-6-phenoxypurin-9-yl)butyl]-6-chloro-2-methoxyacridin-9-amine
CID 168269865
N-[2-(4-chlorophenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967705
N-[4-(2-amino-6-phenylmethoxypurin-9-yl)butyl]-6-chloro-2-methoxyacridin-9-amine
CID 168279181
N-[8-(2-amino-6-phenylmethoxypurin-9-yl)octyl]-6-chloro-2-methoxyacridin-9-amine
CID 168297676
N-[2-[2-[2-(2-amino-6-phenylmethoxypurin-9-yl)ethoxy]ethoxy]ethyl]-6-chloro-2-methoxyacridin-9-amine
CID 168297818
N4-[2-[(7-chloro-4-quinolyl)amino]ethyl]-N2-(4-methoxyphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine
CID 71598367
4-(6-Chloro-3-quinolylamino)-2-[6-(3,3-difluoro-4-piperidyloxy)-5-methoxy-3-pyridylamino]pyrimidine
CID 176369240
4-(6-Chloro-3-quinolylamino)-2-{6-[3-(difluoromethyl)-1-piperazinyl]-5-methoxy-3-pyridylamino}pyrimidine
CID 176369331
1,2-Bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine
CID 68905150
Ethyl-[2-[[5-fluoro-6-[4-[(5-iodochloranuidylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium
CID 143805542
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine
CID 146185116
7-(3-chloro-2-pyridinyl)-2-(cyclopropyloxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(phenoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(propan-2-yloxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 157959952

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine (CID 158375513) is N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine is Cc1cccc(OC2CCN(c3cc(NCc4ccc(Cl)cc4)nc4ccccc34)CC2)c1.Clc1ccc(CNc2cc(N3CCC(Oc4ccncc4)CC3)c3ccccc3n2)cc1.Clc1ccc(CNc2cc(N3CCC(Oc4cnccn4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine?
The InChIKey is GVDGPSGNSSXZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O.C26H25ClN4O.C25H24ClN5O/c1-20-5-4-6-24(17-20)33-23-13-15-32(16-14-23)27-18-28(31-26-8-3-2-7-25(26)27)30-19-21-9-11-22(29)12-10-21;27-20-7-5-19(6-8-20)18-29-26-17-25(23-3-1-2-4-24(23)30-26)31-15-11-22(12-16-31)32-21-9-13-28-14-10-21;26-19-7-5-18(6-8-19)16-29-24-15-23(21-3-1-2-4-22(21)30-24)31-13-9-20(10-14-31)32-25-17-27-11-12-28-25/h2-12,17-18,23H,13-16,19H2,1H3,(H,30,31);1-10,13-14,17,22H,11-12,15-16,18H2,(H,29,30);1-8,11-12,15,17,20H,9-10,13-14,16H2,(H,29,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine?
N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine has a molecular weight of 1348.92 g/mol, XLogP of 18.14, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[4-(3-methylphenoxy)piperidin-1-yl]quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyrazin-2-yloxypiperidin-1-yl)quinolin-2-amine;N-[(4-chlorophenyl)methyl]-4-(4-pyridin-4-yloxypiperidin-1-yl)quinolin-2-amine is sourced from PubChem (CID 158375513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).