6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one

C58H47Cl3N8O3 — CID 158119352

About 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one

6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one (PubChem CID 158119352) has the molecular formula C58H47Cl3N8O3 and a molecular weight of 1010.43 g/mol. Its IUPAC name is 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one.

Molecular Properties

• Compound Name: 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one
• PubChem CID: 158119352
• Molecular Formula: C58H47Cl3N8O3
• Molecular Weight: 1010.43 g/mol
• Exact Mass: 1008.28
• IUPAC Name: 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one
• SMILES: C#Cc1cccc(-c2cc(=O)n(C)c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cn1cncc1C(N)(c1ccc(Cl)nc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2CC1CC1
• InChI: InChI=1S/C29H25Cl2N5O.C29H22ClN3O2/c1-35-17-33-15-26(35)29(32,21-8-10-27(31)34-14-21)20-7-9-25-24(12-20)23(19-3-2-4-22(30)11-19)13-28(37)36(25)16-18-5-6-18;1-4-19-6-5-7-20(14-19)24-16-28(34)33(3)26-13-10-22(15-25(24)26)29(35,27-17-31-18-32(27)2)21-8-11-23(30)12-9-21/h2-4,7-15,17-18H,5-6,16,32H2,1H3;1,5-18,35H,2-3H3
• InChIKey: FRKKDPGWRLMQGD-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 138.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1010.43
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one?

The IUPAC name of 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one (CID 158119352) is 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one.

What is the SMILES notation for 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one?

The canonical SMILES for 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one is C#Cc1cccc(-c2cc(=O)n(C)c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cn1cncc1C(N)(c1ccc(Cl)nc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2CC1CC1.

What is the InChIKey of 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one?

The InChIKey is FRKKDPGWRLMQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25Cl2N5O.C29H22ClN3O2/c1-35-17-33-15-26(35)29(32,21-8-10-27(31)34-14-21)20-7-9-25-24(12-20)23(19-3-2-4-22(30)11-19)13-28(37)36(25)16-18-5-6-18;1-4-19-6-5-7-20(14-19)24-16-28(34)33(3)26-13-10-22(15-25(24)26)29(35,27-17-31-18-32(27)2)21-8-11-23(30)12-9-21/h2-4,7-15,17-18H,5-6,16,32H2,1H3;1,5-18,35H,2-3H3.

What are the key properties of 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one?

6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one has a molecular weight of 1010.43 g/mol, XLogP of 10.62, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one is sourced from PubChem (CID 158119352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).