N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide

C18H18N4O — CID 20966077

IUPACN-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide
SMILESCCNC(=O)c1nc(Nc2cccc(C)c2)c2ccccc2n1
InChIInChI=1S/C18H18N4O/c1-3-19-18(23)17-21-15-10-5-4-9-14(15)16(22-17)20-13-8-6-7-12(2)11-13/h4-11H,3H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyBALNZMXJBHHNMA-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.43
Rot. Bonds4

About N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide

N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide (PubChem CID 20966077) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide
PubChem CID20966077
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide
SMILESCCNC(=O)c1nc(Nc2cccc(C)c2)c2ccccc2n1
InChIInChI=1S/C18H18N4O/c1-3-19-18(23)17-21-15-10-5-4-9-14(15)16(22-17)20-13-8-6-7-12(2)11-13/h4-11H,3H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyBALNZMXJBHHNMA-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-4-(3-methylanilino)quinazoline-2-carboxamide
CID 93059151
N-[[4-(dimethylamino)phenyl]methyl]-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966082
4-(3-methylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]quinazoline-2-carboxamide
CID 20966085
N-ethyl-4-methylquinazoline-2-carboxamide
CID 14528198
4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide
CID 53029202
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide
CID 93059176
ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192533
[4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 93059153
4-anilino-N-(3-chloro-2-methylphenyl)quinazoline-2-carboxamide
CID 53020339
4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide
CID 173217946
4-(4-fluoroanilino)-N-(3-methylbutyl)quinazoline-2-carboxamide
CID 53020411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide?
The IUPAC name of N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide (CID 20966077) is N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide.
What is the SMILES notation for N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide?
The canonical SMILES for N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide is CCNC(=O)c1nc(Nc2cccc(C)c2)c2ccccc2n1.
What is the InChIKey of N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide?
The InChIKey is BALNZMXJBHHNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-3-19-18(23)17-21-15-10-5-4-9-14(15)16(22-17)20-13-8-6-7-12(2)11-13/h4-11H,3H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide?
N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide is sourced from PubChem (CID 20966077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).