7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one

C18H15Cl2N3O2 — CID 175328918

IUPAC7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one
SMILESO=c1cc(N2CC[C@@H](O)C2)c2ccc(Cl)nc2n1-c1ccccc1Cl
InChIInChI=1S/C18H15Cl2N3O2/c19-13-3-1-2-4-14(13)23-17(25)9-15(22-8-7-11(24)10-22)12-5-6-16(20)21-18(12)23/h1-6,9,11,24H,7-8,10H2/t11-/m1/s1
InChIKeyAXXDCKIIUQXZHB-LLVKDONJSA-N
MW376.24 g/mol
LogP3.26
Rot. Bonds2

About 7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one

7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one (PubChem CID 175328918) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one
PubChem CID175328918
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one
SMILESO=c1cc(N2CC[C@@H](O)C2)c2ccc(Cl)nc2n1-c1ccccc1Cl
InChIInChI=1S/C18H15Cl2N3O2/c19-13-3-1-2-4-14(13)23-17(25)9-15(22-8-7-11(24)10-22)12-5-6-16(20)21-18(12)23/h1-6,9,11,24H,7-8,10H2/t11-/m1/s1
InChIKeyAXXDCKIIUQXZHB-LLVKDONJSA-N
XLogP3.26
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 162518372
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(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
(3R)-1-(2-phenylquinolin-4-yl)pyrrolidin-3-ol
CID 22965973
1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol
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2-[(3S)-3-hydroxypyrrolidin-1-yl]benzonitrile
CID 55252376
2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one
CID 11312053
(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
CID 71649300
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol
CID 23064462
1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943203
1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol
CID 168988981

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one?
The IUPAC name of 7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one (CID 175328918) is 7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one?
The canonical SMILES for 7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one is O=c1cc(N2CC[C@@H](O)C2)c2ccc(Cl)nc2n1-c1ccccc1Cl.
What is the InChIKey of 7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one?
The InChIKey is AXXDCKIIUQXZHB-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c19-13-3-1-2-4-14(13)23-17(25)9-15(22-8-7-11(24)10-22)12-5-6-16(20)21-18(12)23/h1-6,9,11,24H,7-8,10H2/t11-/m1/s1.
What are the key properties of 7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one?
7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one has a molecular weight of 376.24 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 175328918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).