4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide

C17H17N5O — CID 173217946

IUPAC4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide
SMILESCN(C)c1cccc(Nc2nc(C(N)=O)nc3ccccc23)c1
InChIInChI=1S/C17H17N5O/c1-22(2)12-7-5-6-11(10-12)19-16-13-8-3-4-9-14(13)20-17(21-16)15(18)23/h3-10H,1-2H3,(H2,18,23)(H,19,20,21)
InChIKeyBJJXAAPODGQPBE-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.54
Rot. Bonds4

About 4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide

4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide (PubChem CID 173217946) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide
PubChem CID173217946
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide
SMILESCN(C)c1cccc(Nc2nc(C(N)=O)nc3ccccc23)c1
InChIInChI=1S/C17H17N5O/c1-22(2)12-7-5-6-11(10-12)19-16-13-8-3-4-9-14(13)20-17(21-16)15(18)23/h3-10H,1-2H3,(H2,18,23)(H,19,20,21)
InChIKeyBJJXAAPODGQPBE-UHFFFAOYSA-N
XLogP2.54
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide
CID 173209734
N-[[4-(dimethylamino)phenyl]methyl]-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966082
ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192533
N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966077
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
N-[(2S)-butan-2-yl]-4-(3-methylanilino)quinazoline-2-carboxamide
CID 93059151
4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine
CID 103963515
N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
CID 71690531
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
ethyl 4-(3,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 6615329
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine
CID 117091404

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide?
The IUPAC name of 4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide (CID 173217946) is 4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide.
What is the SMILES notation for 4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide?
The canonical SMILES for 4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide is CN(C)c1cccc(Nc2nc(C(N)=O)nc3ccccc23)c1.
What is the InChIKey of 4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide?
The InChIKey is BJJXAAPODGQPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-22(2)12-7-5-6-11(10-12)19-16-13-8-3-4-9-14(13)20-17(21-16)15(18)23/h3-10H,1-2H3,(H2,18,23)(H,19,20,21).
What are the key properties of 4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide?
4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide is sourced from PubChem (CID 173217946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).