(7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone

C23H22N2O2 — CID 13055767

IUPAC(7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
SMILESCCCCc1ccc2c(c1)c(OC)cc1nc(C(=O)c3ccccc3)cn12
InChIInChI=1S/C23H22N2O2/c1-3-4-8-16-11-12-20-18(13-16)21(27-2)14-22-24-19(15-25(20)22)23(26)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3
InChIKeyQRVZQQDNUNVERW-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.07
Rot. Bonds6

About (7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone

(7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone (PubChem CID 13055767) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
PubChem CID13055767
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
SMILESCCCCc1ccc2c(c1)c(OC)cc1nc(C(=O)c3ccccc3)cn12
InChIInChI=1S/C23H22N2O2/c1-3-4-8-16-11-12-20-18(13-16)21(27-2)14-22-24-19(15-25(20)22)23(26)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3
InChIKeyQRVZQQDNUNVERW-UHFFFAOYSA-N
XLogP5.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone?
The IUPAC name of (7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone (CID 13055767) is (7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone.
What is the SMILES notation for (7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone?
The canonical SMILES for (7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone is CCCCc1ccc2c(c1)c(OC)cc1nc(C(=O)c3ccccc3)cn12.
What is the InChIKey of (7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone?
The InChIKey is QRVZQQDNUNVERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-4-8-16-11-12-20-18(13-16)21(27-2)14-22-24-19(15-25(20)22)23(26)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3.
What are the key properties of (7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone?
(7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone has a molecular weight of 358.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone is sourced from PubChem (CID 13055767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).