2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone

C30H24Cl2N4O3 — CID 161484433

IUPAC2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2cnc(Cl)cc2C1.O=C(c1ccccc1)N1CCc2cnc(Cl)cc2C1=O
InChIInChI=1S/C15H11ClN2O2.C15H13ClN2O/c16-13-8-12-11(9-17-13)6-7-18(15(12)20)14(19)10-4-2-1-3-5-10;16-14-8-13-10-18(7-6-12(13)9-17-14)15(19)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2;1-5,8-9H,6-7,10H2
InChIKeyWEUDPSRTQNRRDT-UHFFFAOYSA-N
MW559.45 g/mol
LogP5.51
Rot. Bonds2

About 2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone

2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone (PubChem CID 161484433) has the molecular formula C30H24Cl2N4O3 and a molecular weight of 559.45 g/mol. Its IUPAC name is 2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone
PubChem CID161484433
Molecular FormulaC30H24Cl2N4O3
Molecular Weight559.45 g/mol
Exact Mass558.12
IUPAC Name2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2cnc(Cl)cc2C1.O=C(c1ccccc1)N1CCc2cnc(Cl)cc2C1=O
InChIInChI=1S/C15H11ClN2O2.C15H13ClN2O/c16-13-8-12-11(9-17-13)6-7-18(15(12)20)14(19)10-4-2-1-3-5-10;16-14-8-13-10-18(7-6-12(13)9-17-14)15(19)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2;1-5,8-9H,6-7,10H2
InChIKeyWEUDPSRTQNRRDT-UHFFFAOYSA-N
XLogP5.51
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.45
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 28707219
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 168898310
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
2-(quinoline-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 68580054
(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369269
7-(3-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476741
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109236023
1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one
CID 156864912

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone?
The IUPAC name of 2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone (CID 161484433) is 2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone.
What is the SMILES notation for 2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone?
The canonical SMILES for 2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone is O=C(c1ccccc1)N1CCc2cnc(Cl)cc2C1.O=C(c1ccccc1)N1CCc2cnc(Cl)cc2C1=O.
What is the InChIKey of 2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone?
The InChIKey is WEUDPSRTQNRRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2.C15H13ClN2O/c16-13-8-12-11(9-17-13)6-7-18(15(12)20)14(19)10-4-2-1-3-5-10;16-14-8-13-10-18(7-6-12(13)9-17-14)15(19)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2;1-5,8-9H,6-7,10H2.
What are the key properties of 2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone?
2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone has a molecular weight of 559.45 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-7-chloro-3,4-dihydro-2,6-naphthyridin-1-one;(7-chloro-3,4-dihydro-1H-2,6-naphthyridin-2-yl)-phenylmethanone is sourced from PubChem (CID 161484433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).