(4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C21H18ClN3O2 — CID 53146926

IUPAC(4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCOc1ccc(-c2ncc3c(n2)CCN(C(=O)c2ccc(Cl)cc2)C3)cc1
InChIInChI=1S/C21H18ClN3O2/c1-27-18-8-4-14(5-9-18)20-23-12-16-13-25(11-10-19(16)24-20)21(26)15-2-6-17(22)7-3-15/h2-9,12H,10-11,13H2,1H3
InChIKeyIAVUVCLXZMBDOX-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.00
Rot. Bonds3

About (4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 53146926) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID53146926
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name(4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCOc1ccc(-c2ncc3c(n2)CCN(C(=O)c2ccc(Cl)cc2)C3)cc1
InChIInChI=1S/C21H18ClN3O2/c1-27-18-8-4-14(5-9-18)20-23-12-16-13-25(11-10-19(16)24-20)21(26)15-2-6-17(22)7-3-15/h2-9,12H,10-11,13H2,1H3
InChIKeyIAVUVCLXZMBDOX-UHFFFAOYSA-N
XLogP4.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

N-{4-[(2-Chlorophenyl)(Pyrimidin-4-Yl)carbamoyl]phenyl}-4-Methoxybenzamide
CID 105539834
(4-Methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2811138
6-(4-Chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one
CID 3235468
4-chloro-N-{5H-chromeno[4,3-d]pyrimidin-2-yl}benzamide
CID 3427067
2-chloro-N-{5H-chromeno[4,3-d]pyrimidin-2-yl}benzamide
CID 4363776
1-(4-Chlorophenyl)-2-((4-(4-methoxyphenyl)pyrimidin-2-yl)thio)ethanone
CID 5103515
4-{1-[(3,4-Dichlorophenyl)carbonyl]piperidin-4-yl}-6-(4-methoxybenzyl)pyrimidin-2-amine
CID 44275589
4-{1-[(4-Chlorophenyl)carbonyl]piperidin-4-yl}-6-(4-methoxybenzyl)pyrimidin-2-amine
CID 44275719
N-(1-Benzyl-piperidin-4-yl)-5-chloro-2-(4-methoxy-benzylamino)-nicotinamide
CID 44403506
2-(4-chlorophenyl)-N-[1-[2-(4-methoxyanilino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 44525961
(3-((3-Chlorophenyl)ethynyl)-4-methoxyphenyl)(4-(pyrimidin-4-yl)piperazin-1-yl)methanone
CID 53323846
N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 71602992

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 53146926) is (4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is COc1ccc(-c2ncc3c(n2)CCN(C(=O)c2ccc(Cl)cc2)C3)cc1.
What is the InChIKey of (4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is IAVUVCLXZMBDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-27-18-8-4-14(5-9-18)20-23-12-16-13-25(11-10-19(16)24-20)21(26)15-2-6-17(22)7-3-15/h2-9,12H,10-11,13H2,1H3.
What are the key properties of (4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 379.85 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 53146926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).