4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide

C26H24N4O — CID 53029202

IUPAC4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide
SMILESCc1cccc(Nc2nc(C(=O)Nc3cccc4c3CCCC4)nc3ccccc23)c1
InChIInChI=1S/C26H24N4O/c1-17-8-6-11-19(16-17)27-24-21-13-4-5-14-23(21)28-25(30-24)26(31)29-22-15-7-10-18-9-2-3-12-20(18)22/h4-8,10-11,13-16H,2-3,9,12H2,1H3,(H,29,31)(H,27,28,30)
InChIKeyFJYJDJXAYYNOOT-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.81
Rot. Bonds4

About 4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide

4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide (PubChem CID 53029202) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide
PubChem CID53029202
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide
SMILESCc1cccc(Nc2nc(C(=O)Nc3cccc4c3CCCC4)nc3ccccc23)c1
InChIInChI=1S/C26H24N4O/c1-17-8-6-11-19(16-17)27-24-21-13-4-5-14-23(21)28-25(30-24)26(31)29-22-15-7-10-18-9-2-3-12-20(18)22/h4-8,10-11,13-16H,2-3,9,12H2,1H3,(H,29,31)(H,27,28,30)
InChIKeyFJYJDJXAYYNOOT-UHFFFAOYSA-N
XLogP5.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966077
4-anilino-N-(3-chloro-2-methylphenyl)quinazoline-2-carboxamide
CID 53020339
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
[4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 93059153
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine
CID 134912890
4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide
CID 20966031
3-(4-methylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,1-benzoxazole-5-carboxamide
CID 46350548
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
CID 26516067
ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192533

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide?
The IUPAC name of 4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide (CID 53029202) is 4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide.
What is the SMILES notation for 4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide?
The canonical SMILES for 4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide is Cc1cccc(Nc2nc(C(=O)Nc3cccc4c3CCCC4)nc3ccccc23)c1.
What is the InChIKey of 4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide?
The InChIKey is FJYJDJXAYYNOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-17-8-6-11-19(16-17)27-24-21-13-4-5-14-23(21)28-25(30-24)26(31)29-22-15-7-10-18-9-2-3-12-20(18)22/h4-8,10-11,13-16H,2-3,9,12H2,1H3,(H,29,31)(H,27,28,30).
What are the key properties of 4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide?
4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide is sourced from PubChem (CID 53029202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).