(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

C23H23N3O4S — CID 20996302

IUPAC(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)CC3
InChIInChI=1S/C23H23N3O4S/c1-16-2-3-18-15-19-8-9-26(22(19)24-21(18)14-16)23(27)17-4-6-20(7-5-17)31(28,29)25-10-12-30-13-11-25/h2-7,14-15H,8-13H2,1H3
InChIKeyRQCBBVLNPPKDPG-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.77
Rot. Bonds3

About (7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 20996302) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is (7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID20996302
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)CC3
InChIInChI=1S/C23H23N3O4S/c1-16-2-3-18-15-19-8-9-26(22(19)24-21(18)14-16)23(27)17-4-6-20(7-5-17)31(28,29)25-10-12-30-13-11-25/h2-7,14-15H,8-13H2,1H3
InChIKeyRQCBBVLNPPKDPG-UHFFFAOYSA-N
XLogP2.77
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996288
(4-methoxyphenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996236
2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one
CID 20996268
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 19258985
[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 41116470
(2-chloro-5-methylphenyl) 4-morpholin-4-ylsulfonylbenzoate
CID 7749830
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 55661323
[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 4123698
4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide
CID 4906762
(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 4855032
4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide
CID 18859092

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 20996302) is (7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is Cc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)CC3.
What is the InChIKey of (7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is RQCBBVLNPPKDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-16-2-3-18-15-19-8-9-26(22(19)24-21(18)14-16)23(27)17-4-6-20(7-5-17)31(28,29)25-10-12-30-13-11-25/h2-7,14-15H,8-13H2,1H3.
What are the key properties of (7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 437.52 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 20996302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).