4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide

C19H20N4O — CID 93059176

IUPAC4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1nc(Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H20N4O/c1-3-13(2)20-19(24)18-22-16-12-8-7-11-15(16)17(23-18)21-14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,20,24)(H,21,22,23)/t13-/m0/s1
InChIKeyCVKGJKLNAKLHAF-ZDUSSCGKSA-N
MW320.40 g/mol
LogP3.90
Rot. Bonds5

About 4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide

4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide (PubChem CID 93059176) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide
PubChem CID93059176
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1nc(Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H20N4O/c1-3-13(2)20-19(24)18-22-16-12-8-7-11-15(16)17(23-18)21-14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,20,24)(H,21,22,23)/t13-/m0/s1
InChIKeyCVKGJKLNAKLHAF-ZDUSSCGKSA-N
XLogP3.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide
CID 53020403
N-[(2S)-butan-2-yl]-4-(3-methylanilino)quinazoline-2-carboxamide
CID 93059151
4-(4-fluoroanilino)-N-(3-methylbutyl)quinazoline-2-carboxamide
CID 53020411
N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966077
4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
CID 53020396
4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide
CID 20966030
4-anilino-N-(3-chloro-2-methylphenyl)quinazoline-2-carboxamide
CID 53020339
4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
CID 53020420
4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid
CID 62405684
N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide
CID 63377555
ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192536
4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide
CID 20966031

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide?
The IUPAC name of 4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide (CID 93059176) is 4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide.
What is the SMILES notation for 4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide?
The canonical SMILES for 4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide is CC[C@H](C)NC(=O)c1nc(Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of 4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide?
The InChIKey is CVKGJKLNAKLHAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-13(2)20-19(24)18-22-16-12-8-7-11-15(16)17(23-18)21-14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,20,24)(H,21,22,23)/t13-/m0/s1.
What are the key properties of 4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide?
4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide is sourced from PubChem (CID 93059176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).