1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide

C16H20N4O3 — CID 171705302

IUPAC1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide
SMILESCOc1cc2ncnc(N3CC(C(=O)N(C)C)C3)c2cc1OC
InChIInChI=1S/C16H20N4O3/c1-19(2)16(21)10-7-20(8-10)15-11-5-13(22-3)14(23-4)6-12(11)17-9-18-15/h5-6,9-10H,7-8H2,1-4H3
InChIKeyBRYAMNWTLNMNHV-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.17
Rot. Bonds4

About 1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide

1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide (PubChem CID 171705302) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide
PubChem CID171705302
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide
SMILESCOc1cc2ncnc(N3CC(C(=O)N(C)C)C3)c2cc1OC
InChIInChI=1S/C16H20N4O3/c1-19(2)16(21)10-7-20(8-10)15-11-5-13(22-3)14(23-4)6-12(11)17-9-18-15/h5-6,9-10H,7-8H2,1-4H3
InChIKeyBRYAMNWTLNMNHV-UHFFFAOYSA-N
XLogP1.17
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid
CID 163274731
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283
6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435774
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882059
4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline
CID 156824030

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide?
The IUPAC name of 1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide (CID 171705302) is 1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide.
What is the SMILES notation for 1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide?
The canonical SMILES for 1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide is COc1cc2ncnc(N3CC(C(=O)N(C)C)C3)c2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide?
The InChIKey is BRYAMNWTLNMNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-19(2)16(21)10-7-20(8-10)15-11-5-13(22-3)14(23-4)6-12(11)17-9-18-15/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide?
1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide is sourced from PubChem (CID 171705302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).