1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide

C19H18N4O2 — CID 175553533

IUPAC1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2ccc3cnc(NC4(C(N)=O)CC4)nc3c2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-15-6-4-12(5-7-15)13-2-3-14-11-21-18(22-16(14)10-13)23-19(8-9-19)17(20)24/h2-7,10-11H,8-9H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyLQTKCLBQPFWJIB-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.74
Rot. Bonds5

About 1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide

1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide (PubChem CID 175553533) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide
PubChem CID175553533
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2ccc3cnc(NC4(C(N)=O)CC4)nc3c2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-15-6-4-12(5-7-15)13-2-3-14-11-21-18(22-16(14)10-13)23-19(8-9-19)17(20)24/h2-7,10-11H,8-9H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyLQTKCLBQPFWJIB-UHFFFAOYSA-N
XLogP2.74
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyanilino)cyclohexane-1-carboxamide
CID 2310511
1-(4-methoxyanilino)cycloheptane-1-carboxamide
CID 54889423
4-(4-methoxyanilino)oxane-4-carboxamide
CID 54889147
2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138589175
2-N-methylquinazoline-2,7-diamine
CID 163482981
4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide
CID 138589596
2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide
CID 152790325
1-(4-methoxyanilino)-3-methylcyclopentane-1-carboxamide
CID 64516643
5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116976946
N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78881229
3-(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 15906060
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide?
The IUPAC name of 1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide (CID 175553533) is 1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide is COc1ccc(-c2ccc3cnc(NC4(C(N)=O)CC4)nc3c2)cc1.
What is the InChIKey of 1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide?
The InChIKey is LQTKCLBQPFWJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-15-6-4-12(5-7-15)13-2-3-14-11-21-18(22-16(14)10-13)23-19(8-9-19)17(20)24/h2-7,10-11H,8-9H2,1H3,(H2,20,24)(H,21,22,23).
What are the key properties of 1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide?
1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(4-methoxyphenyl)quinazolin-2-yl]amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 175553533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).