methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine

C24H32N6O — CID 157148191

IUPACmethane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine
SMILESC.c1cc(Nc2ncc3ccc(OC4CCNCC4)cc3n2)cc(N2CCNCC2)c1
InChIInChI=1S/C23H28N6O.CH4/c1-2-18(14-19(3-1)29-12-10-25-11-13-29)27-23-26-16-17-4-5-21(15-22(17)28-23)30-20-6-8-24-9-7-20;/h1-5,14-16,20,24-25H,6-13H2,(H,26,27,28);1H4
InChIKeyAKYHLZUKMJFMRH-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.55
Rot. Bonds5

About methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine

methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine (PubChem CID 157148191) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine.

Molecular Properties

Compound Namemethane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine
PubChem CID157148191
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Namemethane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine
SMILESC.c1cc(Nc2ncc3ccc(OC4CCNCC4)cc3n2)cc(N2CCNCC2)c1
InChIInChI=1S/C23H28N6O.CH4/c1-2-18(14-19(3-1)29-12-10-25-11-13-29)27-23-26-16-17-4-5-21(15-22(17)28-23)30-20-6-8-24-9-7-20;/h1-5,14-16,20,24-25H,6-13H2,(H,26,27,28);1H4
InChIKeyAKYHLZUKMJFMRH-UHFFFAOYSA-N
XLogP3.55
TPSA74.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine
CID 67102042
3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol
CID 70920913
N-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine
CID 70920903
N-[3-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide
CID 67102757
4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 44816276
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine
CID 175553560
N-(4-methylsulfonylphenyl)-7-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67102202
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine
CID 175725425
4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,5-triazin-2-amine
CID 118034431
6-[[5-fluoro-2-(3-piperazin-1-ylanilino)pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one
CID 59405686
3-[[5-methyl-2-(3-piperazin-1-ylanilino)pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
CID 163899257
2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide
CID 59325283

Frequently Asked Questions

What is the IUPAC name of methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine?
The IUPAC name of methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine (CID 157148191) is methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine.
What is the SMILES notation for methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine?
The canonical SMILES for methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine is C.c1cc(Nc2ncc3ccc(OC4CCNCC4)cc3n2)cc(N2CCNCC2)c1.
What is the InChIKey of methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine?
The InChIKey is AKYHLZUKMJFMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.CH4/c1-2-18(14-19(3-1)29-12-10-25-11-13-29)27-23-26-16-17-4-5-21(15-22(17)28-23)30-20-6-8-24-9-7-20;/h1-5,14-16,20,24-25H,6-13H2,(H,26,27,28);1H4.
What are the key properties of methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine?
methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine has a molecular weight of 420.56 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine is sourced from PubChem (CID 157148191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).