[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone

C19H16ClN3O2 — CID 75203887

IUPAC[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCC(O)C1
InChIInChI=1S/C19H16ClN3O2/c20-14-4-1-12(2-5-14)16-10-21-9-13-3-6-17(22-18(13)16)19(25)23-8-7-15(24)11-23/h1-6,9-10,15,24H,7-8,11H2
InChIKeySRPUAPQERYQDSO-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.16
Rot. Bonds2

About [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone

[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 75203887) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID75203887
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCC(O)C1
InChIInChI=1S/C19H16ClN3O2/c20-14-4-1-12(2-5-14)16-10-21-9-13-3-6-17(22-18(13)16)19(25)23-8-7-15(24)11-23/h1-6,9-10,15,24H,7-8,11H2
InChIKeySRPUAPQERYQDSO-UHFFFAOYSA-N
XLogP3.16
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 118077758
[8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 118077769
[8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 118077777
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
CID 158393333
(8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3378385
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753
(8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 164630959
8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 90178332
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(5-chloro-2-pyridinyl)-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 133132576

Frequently Asked Questions

What is the IUPAC name of [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone (CID 75203887) is [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCC(O)C1.
What is the InChIKey of [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is SRPUAPQERYQDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-14-4-1-12(2-5-14)16-10-21-9-13-3-6-17(22-18(13)16)19(25)23-8-7-15(24)11-23/h1-6,9-10,15,24H,7-8,11H2.
What are the key properties of [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 353.81 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 75203887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).