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

C23H24N4O4 — CID 118983111

IUPACphenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCOc1cc(Nc2ncc3c(n2)CCN(C(=O)c2ccccc2)C3)cc(OC)c1OC
InChIInChI=1S/C23H24N4O4/c1-29-19-11-17(12-20(30-2)21(19)31-3)25-23-24-13-16-14-27(10-9-18(16)26-23)22(28)15-7-5-4-6-8-15/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,26)
InChIKeyIILFQHISCNKAAA-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.44
Rot. Bonds6

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

phenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 118983111) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is phenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID118983111
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Namephenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCOc1cc(Nc2ncc3c(n2)CCN(C(=O)c2ccccc2)C3)cc(OC)c1OC
InChIInChI=1S/C23H24N4O4/c1-29-19-11-17(12-20(30-2)21(19)31-3)25-23-24-13-16-14-27(10-9-18(16)26-23)22(28)15-7-5-4-6-8-15/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,26)
InChIKeyIILFQHISCNKAAA-UHFFFAOYSA-N
XLogP3.44
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Sbi-0206965
CID 92044402
N-[2-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-5-yl]benzamide
CID 23646073
Aurora Kinase Inhibitor II
CID 6610278
N-(4-phenoxy-phenyl)-3-{3-[4-(3,4,5-trimethoxy-phenylamino)-[1,3,5]triazin-2-yl]-pyridin-2-ylamino}benzamide
CID 10233129
4-[6-(3,4,5-Trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
N*1*-{5-[2-(3,4,5-Trimethoxy-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-ethane-1,2-diamine
CID 15550318
(3s)-N-[3-(Trifluoromethoxy)benzyl]-1-{2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}piperidine-3-Carboxamide
CID 53495177
(3s)-N-(4-Methylbenzyl)-1-{2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}piperidine-3-Carboxamide
CID 56596558
N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 25195369
4-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}benzaldehyde
CID 11710340
N-[(2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)formamide
CID 456217
[4-(6-Piperazin-1-yl-pyridin-3-yl)-pyrimidin-2-yl]-(3,4,5-trimethoxy-phenyl)-amine
CID 9888491

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of phenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 118983111) is phenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for phenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for phenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is COc1cc(Nc2ncc3c(n2)CCN(C(=O)c2ccccc2)C3)cc(OC)c1OC.
What is the InChIKey of phenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is IILFQHISCNKAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-29-19-11-17(12-20(30-2)21(19)31-3)25-23-24-13-16-14-27(10-9-18(16)26-23)22(28)15-7-5-4-6-8-15/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,26).
What are the key properties of phenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
phenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 420.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 118983111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).