methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate

C17H15N5O2 — CID 154849785

IUPACmethyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncnc(N3CCc4ncncc4C3)c2c1
InChIInChI=1S/C17H15N5O2/c1-24-17(23)11-2-3-15-13(6-11)16(21-10-20-15)22-5-4-14-12(8-22)7-18-9-19-14/h2-3,6-7,9-10H,4-5,8H2,1H3
InChIKeyIACJJHSLPAFJFY-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.77
Rot. Bonds2

About methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate

methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate (PubChem CID 154849785) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate
PubChem CID154849785
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Namemethyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncnc(N3CCc4ncncc4C3)c2c1
InChIInChI=1S/C17H15N5O2/c1-24-17(23)11-2-3-15-13(6-11)16(21-10-20-15)22-5-4-14-12(8-22)7-18-9-19-14/h2-3,6-7,9-10H,4-5,8H2,1H3
InChIKeyIACJJHSLPAFJFY-UHFFFAOYSA-N
XLogP1.77
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate with MolForge

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Related Compounds

methyl 4-thiomorpholin-4-ylquinazoline-7-carboxylate
CID 59625692
methyl 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)benzoate
CID 71805783
4-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]benzoic acid
CID 39820555
acetic acid;2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 143413817
6-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 175766459
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate
CID 67775458
methyl 2-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 133418341
(Z)-2-[6-(6-fluoroquinazolin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-methyliminoprop-1-en-1-amine
CID 176600460
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842457
methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate
CID 174556500
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473

Frequently Asked Questions

What is the IUPAC name of methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate?
The IUPAC name of methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate (CID 154849785) is methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate.
What is the SMILES notation for methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate?
The canonical SMILES for methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate is COC(=O)c1ccc2ncnc(N3CCc4ncncc4C3)c2c1.
What is the InChIKey of methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate?
The InChIKey is IACJJHSLPAFJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-24-17(23)11-2-3-15-13(6-11)16(21-10-20-15)22-5-4-14-12(8-22)7-18-9-19-14/h2-3,6-7,9-10H,4-5,8H2,1H3.
What are the key properties of methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate?
methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate has a molecular weight of 321.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate is sourced from PubChem (CID 154849785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).