8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline

C19H19ClN4 — CID 95486503

IUPAC8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline
SMILESClc1cccc2ccc(CN3CCc4[nH]cnc4[C@@H]3C3CC3)nc12
InChIInChI=1S/C19H19ClN4/c20-15-3-1-2-12-6-7-14(23-17(12)15)10-24-9-8-16-18(22-11-21-16)19(24)13-4-5-13/h1-3,6-7,11,13,19H,4-5,8-10H2,(H,21,22)/t19-/m0/s1
InChIKeyHRMROKIBQQHMDR-IBGZPJMESA-N
MW338.84 g/mol
LogP4.12
Rot. Bonds3

About 8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline

8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline (PubChem CID 95486503) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline.

Molecular Properties

Compound Name8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline
PubChem CID95486503
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline
SMILESClc1cccc2ccc(CN3CCc4[nH]cnc4[C@@H]3C3CC3)nc12
InChIInChI=1S/C19H19ClN4/c20-15-3-1-2-12-6-7-14(23-17(12)15)10-24-9-8-16-18(22-11-21-16)19(24)13-4-5-13/h1-3,6-7,11,13,19H,4-5,8-10H2,(H,21,22)/t19-/m0/s1
InChIKeyHRMROKIBQQHMDR-IBGZPJMESA-N
XLogP4.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline?
The IUPAC name of 8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline (CID 95486503) is 8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline.
What is the SMILES notation for 8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline?
The canonical SMILES for 8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline is Clc1cccc2ccc(CN3CCc4[nH]cnc4[C@@H]3C3CC3)nc12.
What is the InChIKey of 8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline?
The InChIKey is HRMROKIBQQHMDR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19ClN4/c20-15-3-1-2-12-6-7-14(23-17(12)15)10-24-9-8-16-18(22-11-21-16)19(24)13-4-5-13/h1-3,6-7,11,13,19H,4-5,8-10H2,(H,21,22)/t19-/m0/s1.
What are the key properties of 8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline?
8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline has a molecular weight of 338.84 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[[(4S)-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline is sourced from PubChem (CID 95486503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).