2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide

C14H16N4O — CID 144524423

IUPAC2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide
SMILESC[C@@H](Nc1ncc2ccc(C(N)=O)cc2n1)C1CC1
InChIInChI=1S/C14H16N4O/c1-8(9-2-3-9)17-14-16-7-11-5-4-10(13(15)19)6-12(11)18-14/h4-9H,2-3H2,1H3,(H2,15,19)(H,16,17,18)/t8-/m1/s1
InChIKeyNCNLFHYAUFRAOU-MRVPVSSYSA-N
MW256.31 g/mol
LogP1.94
Rot. Bonds4

About 2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide

2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide (PubChem CID 144524423) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide
PubChem CID144524423
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide
SMILESC[C@@H](Nc1ncc2ccc(C(N)=O)cc2n1)C1CC1
InChIInChI=1S/C14H16N4O/c1-8(9-2-3-9)17-14-16-7-11-5-4-10(13(15)19)6-12(11)18-14/h4-9H,2-3H2,1H3,(H2,15,19)(H,16,17,18)/t8-/m1/s1
InChIKeyNCNLFHYAUFRAOU-MRVPVSSYSA-N
XLogP1.94
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-cyclopropylethyl]amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-[(2R)-pyrrolidin-2-yl]methyl]quinazoline-7-carboxamide
CID 71528941
2-(propan-2-ylamino)quinazoline-6-carboxylic acid
CID 165494304
2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082418
4-(1-cyclopropylethylamino)pyridine-2-carboxamide
CID 43533522
7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine
CID 89403812
3-(1-cyclopentylethylamino)-4-nitrobenzamide
CID 82995881
2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide
CID 58082291
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide
CID 164519355
2-[(4-hydroxycyclohexyl)amino]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082378
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237412
2-methylquinoxaline-6-carboxamide
CID 89421881

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide?
The IUPAC name of 2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide (CID 144524423) is 2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide.
What is the SMILES notation for 2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide?
The canonical SMILES for 2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide is C[C@@H](Nc1ncc2ccc(C(N)=O)cc2n1)C1CC1.
What is the InChIKey of 2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide?
The InChIKey is NCNLFHYAUFRAOU-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8(9-2-3-9)17-14-16-7-11-5-4-10(13(15)19)6-12(11)18-14/h4-9H,2-3H2,1H3,(H2,15,19)(H,16,17,18)/t8-/m1/s1.
What are the key properties of 2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide?
2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide is sourced from PubChem (CID 144524423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).