4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one

C30H28ClN5O3 — CID 23646775

IUPAC4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one
SMILESCn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(C(=O)N4CCOCC4)c3)ccc21
InChIInChI=1S/C30H28ClN5O3/c1-33-28-6-5-21(13-27(28)26(15-29(33)37)22-3-2-4-24(31)14-22)17-36-20-32-16-25(36)19-34-8-7-23(18-34)30(38)35-9-11-39-12-10-35/h2-8,13-16,18,20H,9-12,17,19H2,1H3
InChIKeyJCBXKMGAKYCOTP-UHFFFAOYSA-N
MW542.04 g/mol
LogP4.43
Rot. Bonds6

About 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one

4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one (PubChem CID 23646775) has the molecular formula C30H28ClN5O3 and a molecular weight of 542.04 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one
PubChem CID23646775
Molecular FormulaC30H28ClN5O3
Molecular Weight542.04 g/mol
Exact Mass541.19
IUPAC Name4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one
SMILESCn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(C(=O)N4CCOCC4)c3)ccc21
InChIInChI=1S/C30H28ClN5O3/c1-33-28-6-5-21(13-27(28)26(15-29(33)37)22-3-2-4-24(31)14-22)17-36-20-32-16-25(36)19-34-8-7-23(18-34)30(38)35-9-11-39-12-10-35/h2-8,13-16,18,20H,9-12,17,19H2,1H3
InChIKeyJCBXKMGAKYCOTP-UHFFFAOYSA-N
XLogP4.43
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.04
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one (CID 23646775) is 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one is Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(C(=O)N4CCOCC4)c3)ccc21.
What is the InChIKey of 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one?
The InChIKey is JCBXKMGAKYCOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN5O3/c1-33-28-6-5-21(13-27(28)26(15-29(33)37)22-3-2-4-24(31)14-22)17-36-20-32-16-25(36)19-34-8-7-23(18-34)30(38)35-9-11-39-12-10-35/h2-8,13-16,18,20H,9-12,17,19H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one?
4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one has a molecular weight of 542.04 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]quinolin-2-one is sourced from PubChem (CID 23646775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).