1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine

C28H31N5O2 — CID 69344775

IUPAC1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine
SMILESCC1(COc2cccc(-c3nccn3-c3ccc4cccc(N5CCC(N)CC5)c4n3)c2)COC1
InChIInChI=1S/C28H31N5O2/c1-28(17-34-18-28)19-35-23-6-2-5-21(16-23)27-30-12-15-33(27)25-9-8-20-4-3-7-24(26(20)31-25)32-13-10-22(29)11-14-32/h2-9,12,15-16,22H,10-11,13-14,17-19,29H2,1H3
InChIKeyVNOLDJDDSNDMAI-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.43
Rot. Bonds6

About 1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine

1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine (PubChem CID 69344775) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine
PubChem CID69344775
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine
SMILESCC1(COc2cccc(-c3nccn3-c3ccc4cccc(N5CCC(N)CC5)c4n3)c2)COC1
InChIInChI=1S/C28H31N5O2/c1-28(17-34-18-28)19-35-23-6-2-5-21(16-23)27-30-12-15-33(27)25-9-8-20-4-3-7-24(26(20)31-25)32-13-10-22(29)11-14-32/h2-9,12,15-16,22H,10-11,13-14,17-19,29H2,1H3
InChIKeyVNOLDJDDSNDMAI-UHFFFAOYSA-N
XLogP4.43
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine;phosphoric acid
CID 73438364
1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine
CID 163636070
1-(2-methylquinolin-8-yl)piperidin-4-amine
CID 167019994
1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
CID 10112406
6-[8-(4-aminopiperidin-1-yl)-2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 11592629
6-[4-amino-1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 11541903
1-quinolin-8-ylpiperidin-4-amine
CID 81224219
10-methyl-9-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 169082893
1-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]azetidin-2-one
CID 136556774
1-methyl-5-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazole-3-carboxylic acid
CID 117487067
3-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117467164
2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide
CID 10162497

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine?
The IUPAC name of 1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine (CID 69344775) is 1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine is CC1(COc2cccc(-c3nccn3-c3ccc4cccc(N5CCC(N)CC5)c4n3)c2)COC1.
What is the InChIKey of 1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine?
The InChIKey is VNOLDJDDSNDMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-28(17-34-18-28)19-35-23-6-2-5-21(16-23)27-30-12-15-33(27)25-9-8-20-4-3-7-24(26(20)31-25)32-13-10-22(29)11-14-32/h2-9,12,15-16,22H,10-11,13-14,17-19,29H2,1H3.
What are the key properties of 1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine?
1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine has a molecular weight of 469.59 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]imidazol-1-yl]quinolin-8-yl]piperidin-4-amine is sourced from PubChem (CID 69344775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).