3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide

C19H18N4O2 — CID 58829959

IUPAC3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C19H18N4O2/c1-25-17-7-3-12(18(24)22-14-4-5-14)9-15(17)11-2-6-16-13(8-11)10-21-19(20)23-16/h2-3,6-10,14H,4-5H2,1H3,(H,22,24)(H2,20,21,23)
InChIKeyADLUFBPEIIZZGC-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.78
Rot. Bonds4

About 3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide

3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide (PubChem CID 58829959) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide
PubChem CID58829959
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C19H18N4O2/c1-25-17-7-3-12(18(24)22-14-4-5-14)9-15(17)11-2-6-16-13(8-11)10-21-19(20)23-16/h2-3,6-10,14H,4-5H2,1H3,(H,22,24)(H2,20,21,23)
InChIKeyADLUFBPEIIZZGC-UHFFFAOYSA-N
XLogP2.78
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[[6-[5-(cyclopropylcarbamoyl)-2-methoxyphenyl]quinazolin-2-yl]amino]pentyl]carbamate
CID 123528758
3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 11525892
[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid
CID 69464228
N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
CID 71211058
N-cyclopropyl-3-[2-[3-(dimethylamino)propyl]quinazolin-6-yl]-4-methylbenzamide
CID 58829067
N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide
CID 46368946
4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid
CID 71268473

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide (CID 58829959) is 3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide is COc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide?
The InChIKey is ADLUFBPEIIZZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-17-7-3-12(18(24)22-14-4-5-14)9-15(17)11-2-6-16-13(8-11)10-21-19(20)23-16/h2-3,6-10,14H,4-5H2,1H3,(H,22,24)(H2,20,21,23).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide?
3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide has a molecular weight of 334.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide is sourced from PubChem (CID 58829959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).