5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one

C14H13ClN4O2 — CID 66926377

IUPAC5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESCOc1cc(Nc2ccnc3c2CNC(=O)N3)ccc1Cl
InChIInChI=1S/C14H13ClN4O2/c1-21-12-6-8(2-3-10(12)15)18-11-4-5-16-13-9(11)7-17-14(20)19-13/h2-6H,7H2,1H3,(H3,16,17,18,19,20)
InChIKeyFSOHROFMKKYRTE-UHFFFAOYSA-N
MW304.74 g/mol
LogP3.12
Rot. Bonds3

About 5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one

5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 66926377) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID66926377
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESCOc1cc(Nc2ccnc3c2CNC(=O)N3)ccc1Cl
InChIInChI=1S/C14H13ClN4O2/c1-21-12-6-8(2-3-10(12)15)18-11-4-5-16-13-9(11)7-17-14(20)19-13/h2-6H,7H2,1H3,(H3,16,17,18,19,20)
InChIKeyFSOHROFMKKYRTE-UHFFFAOYSA-N
XLogP3.12
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one (CID 66926377) is 5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one is COc1cc(Nc2ccnc3c2CNC(=O)N3)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is FSOHROFMKKYRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-21-12-6-8(2-3-10(12)15)18-11-4-5-16-13-9(11)7-17-14(20)19-13/h2-6H,7H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 304.74 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 66926377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).