1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine

C16H13N5 — CID 103964383

IUPAC1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine
SMILESNc1nc2cnc3ccccc3c2n1Cc1cccnc1
InChIInChI=1S/C16H13N5/c17-16-20-14-9-19-13-6-2-1-5-12(13)15(14)21(16)10-11-4-3-7-18-8-11/h1-9H,10H2,(H2,17,20)
InChIKeyXKFUMJJLNSVCSA-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.61
Rot. Bonds2

About 1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine

1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine (PubChem CID 103964383) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine
PubChem CID103964383
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine
SMILESNc1nc2cnc3ccccc3c2n1Cc1cccnc1
InChIInChI=1S/C16H13N5/c17-16-20-14-9-19-13-6-2-1-5-12(13)15(14)21(16)10-11-4-3-7-18-8-11/h1-9H,10H2,(H2,17,20)
InChIKeyXKFUMJJLNSVCSA-UHFFFAOYSA-N
XLogP2.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine
CID 103964365
1-(3-methylbutyl)imidazo[4,5-c]quinolin-2-amine
CID 103964359
1-pentylimidazo[4,5-c]quinolin-2-amine
CID 103964360
6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine
CID 65347065
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197
3-benzylimidazo[4,5-b]pyridin-2-amine
CID 79289249
1-[(2-methyloxolan-2-yl)methyl]imidazo[4,5-c]quinolin-2-amine
CID 103964539
1-(3-ethylpentan-3-yl)imidazo[4,5-c]quinolin-2-amine
CID 103964530
1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole
CID 156780758
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276
1-[1-(dimethylamino)propan-2-yl]imidazo[4,5-c]quinolin-2-amine
CID 103964554
1-(pyridin-4-ylmethyl)benzimidazol-2-amine
CID 43148815

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
The IUPAC name of 1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine (CID 103964383) is 1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
The canonical SMILES for 1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine is Nc1nc2cnc3ccccc3c2n1Cc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
The InChIKey is XKFUMJJLNSVCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c17-16-20-14-9-19-13-6-2-1-5-12(13)15(14)21(16)10-11-4-3-7-18-8-11/h1-9H,10H2,(H2,17,20).
What are the key properties of 1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine has a molecular weight of 275.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine is sourced from PubChem (CID 103964383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).