N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide

C19H19FN4O — CID 53020403

IUPACN-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide
SMILESCCC(C)NC(=O)c1nc(Nc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C19H19FN4O/c1-3-12(2)21-19(25)18-23-16-7-5-4-6-15(16)17(24-18)22-14-10-8-13(20)9-11-14/h4-12H,3H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyGDOBORXAUXUZSF-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.04
Rot. Bonds5

About N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide

N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide (PubChem CID 53020403) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide
PubChem CID53020403
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide
SMILESCCC(C)NC(=O)c1nc(Nc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C19H19FN4O/c1-3-12(2)21-19(25)18-23-16-7-5-4-6-15(16)17(24-18)22-14-10-8-13(20)9-11-14/h4-12H,3H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyGDOBORXAUXUZSF-UHFFFAOYSA-N
XLogP4.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide
CID 93059176
N-[(2S)-butan-2-yl]-4-(3-methylanilino)quinazoline-2-carboxamide
CID 93059151
4-(4-fluoroanilino)-N-(3-methylbutyl)quinazoline-2-carboxamide
CID 53020411
4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide
CID 20966030
4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
CID 53020420
4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
CID 53020396
ethyl 4-[4-(trifluoromethyl)anilino]quinazoline-2-carboxylate
CID 6615271
N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966077
ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192536
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid
CID 62405684

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide (CID 53020403) is N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide is CCC(C)NC(=O)c1nc(Nc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide?
The InChIKey is GDOBORXAUXUZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-3-12(2)21-19(25)18-23-16-7-5-4-6-15(16)17(24-18)22-14-10-8-13(20)9-11-14/h4-12H,3H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide?
N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide is sourced from PubChem (CID 53020403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).