cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate

C23H23ClN4O2 — CID 164830709

IUPACcyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESO=C(OC1CC1)N1CCCc2cc(C3(c4nc5ncc(Cl)cc5[nH]4)CCC3)ccc21
InChIInChI=1S/C23H23ClN4O2/c24-16-12-18-20(25-13-16)27-21(26-18)23(8-2-9-23)15-4-7-19-14(11-15)3-1-10-28(19)22(29)30-17-5-6-17/h4,7,11-13,17H,1-3,5-6,8-10H2,(H,25,26,27)
InChIKeyFAIXRCGTGSAAHW-UHFFFAOYSA-N
MW422.92 g/mol
LogP5.13
Rot. Bonds3

About cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate

cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 164830709) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namecyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID164830709
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Namecyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESO=C(OC1CC1)N1CCCc2cc(C3(c4nc5ncc(Cl)cc5[nH]4)CCC3)ccc21
InChIInChI=1S/C23H23ClN4O2/c24-16-12-18-20(25-13-16)27-21(26-18)23(8-2-9-23)15-4-7-19-14(11-15)3-1-10-28(19)22(29)30-17-5-6-17/h4,7,11-13,17H,1-3,5-6,8-10H2,(H,25,26,27)
InChIKeyFAIXRCGTGSAAHW-UHFFFAOYSA-N
XLogP5.13
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.92
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate (CID 164830709) is cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate is O=C(OC1CC1)N1CCCc2cc(C3(c4nc5ncc(Cl)cc5[nH]4)CCC3)ccc21.
What is the InChIKey of cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is FAIXRCGTGSAAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-16-12-18-20(25-13-16)27-21(26-18)23(8-2-9-23)15-4-7-19-14(11-15)3-1-10-28(19)22(29)30-17-5-6-17/h4,7,11-13,17H,1-3,5-6,8-10H2,(H,25,26,27).
What are the key properties of cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 422.92 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 164830709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).