1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone

C24H22N4O2 — CID 92614221

IUPAC1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone
SMILESCOc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)Cc2cccc3cccnc23)cc1
InChIInChI=1S/C24H22N4O2/c1-30-19-9-7-17(8-10-19)24-23-20(26-15-27-23)11-13-28(24)21(29)14-18-5-2-4-16-6-3-12-25-22(16)18/h2-10,12,15,24H,11,13-14H2,1H3,(H,26,27)/t24-/m1/s1
InChIKeyRHVKVVAMOZCJKK-XMMPIXPASA-N
MW398.47 g/mol
LogP3.68
Rot. Bonds4

About 1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone

1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone (PubChem CID 92614221) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone.

Molecular Properties

Compound Name1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone
PubChem CID92614221
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone
SMILESCOc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)Cc2cccc3cccnc23)cc1
InChIInChI=1S/C24H22N4O2/c1-30-19-9-7-17(8-10-19)24-23-20(26-15-27-23)11-13-28(24)21(29)14-18-5-2-4-16-6-3-12-25-22(16)18/h2-10,12,15,24H,11,13-14H2,1H3,(H,26,27)/t24-/m1/s1
InChIKeyRHVKVVAMOZCJKK-XMMPIXPASA-N
XLogP3.68
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone?
The IUPAC name of 1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone (CID 92614221) is 1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone.
What is the SMILES notation for 1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone?
The canonical SMILES for 1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone is COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)Cc2cccc3cccnc23)cc1.
What is the InChIKey of 1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone?
The InChIKey is RHVKVVAMOZCJKK-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22N4O2/c1-30-19-9-7-17(8-10-19)24-23-20(26-15-27-23)11-13-28(24)21(29)14-18-5-2-4-16-6-3-12-25-22(16)18/h2-10,12,15,24H,11,13-14H2,1H3,(H,26,27)/t24-/m1/s1.
What are the key properties of 1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone?
1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone has a molecular weight of 398.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone is sourced from PubChem (CID 92614221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).