(7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone

C17H13ClN2O3 — CID 110672820

IUPAC(7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone
SMILESCOc1cc2cc3c(nc2cc1Cl)N(C(=O)c1ccco1)CC3
InChIInChI=1S/C17H13ClN2O3/c1-22-15-8-11-7-10-4-5-20(17(21)14-3-2-6-23-14)16(10)19-13(11)9-12(15)18/h2-3,6-9H,4-5H2,1H3
InChIKeyIAKXDYYMCSYDET-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.69
Rot. Bonds2

About (7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone

(7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone (PubChem CID 110672820) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is (7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone
PubChem CID110672820
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name(7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone
SMILESCOc1cc2cc3c(nc2cc1Cl)N(C(=O)c1ccco1)CC3
InChIInChI=1S/C17H13ClN2O3/c1-22-15-8-11-7-10-4-5-20(17(21)14-3-2-6-23-14)16(10)19-13(11)9-12(15)18/h2-3,6-9H,4-5H2,1H3
InChIKeyIAKXDYYMCSYDET-UHFFFAOYSA-N
XLogP3.69
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone with MolForge

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Related Compounds

1-(7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one
CID 110672815
N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)furan-2-carboxamide
CID 4906431
(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996440
[4-[6,7-dimethoxy-3-(methylamino)quinoxalin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23934063
[4-(4-amino-5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 119673070
ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 46091300
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone
CID 22294025
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110807734
[4-(1-amino-6,7-dimethoxyisoquinolin-3-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14068977
furan-2-yl-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2898369
furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
furan-2-yl-[4-(2-methoxy-4,6-dimethylbenzoyl)piperazin-1-yl]methanone
CID 110764965

Frequently Asked Questions

What is the IUPAC name of (7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone (CID 110672820) is (7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone is COc1cc2cc3c(nc2cc1Cl)N(C(=O)c1ccco1)CC3.
What is the InChIKey of (7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone?
The InChIKey is IAKXDYYMCSYDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-15-8-11-7-10-4-5-20(17(21)14-3-2-6-23-14)16(10)19-13(11)9-12(15)18/h2-3,6-9H,4-5H2,1H3.
What are the key properties of (7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone?
(7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone has a molecular weight of 328.76 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 110672820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).