4-(1-phenylethylamino)quinazoline-2-carboxamide

C17H16N4O — CID 173085941

IUPAC4-(1-phenylethylamino)quinazoline-2-carboxamide
SMILESCC(Nc1nc(C(N)=O)nc2ccccc12)c1ccccc1
InChIInChI=1S/C17H16N4O/c1-11(12-7-3-2-4-8-12)19-16-13-9-5-6-10-14(13)20-17(21-16)15(18)22/h2-11H,1H3,(H2,18,22)(H,19,20,21)
InChIKeyXDPJEYWBTVMRKI-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.90
Rot. Bonds4

About 4-(1-phenylethylamino)quinazoline-2-carboxamide

4-(1-phenylethylamino)quinazoline-2-carboxamide (PubChem CID 173085941) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(1-phenylethylamino)quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(1-phenylethylamino)quinazoline-2-carboxamide
PubChem CID173085941
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-(1-phenylethylamino)quinazoline-2-carboxamide
SMILESCC(Nc1nc(C(N)=O)nc2ccccc12)c1ccccc1
InChIInChI=1S/C17H16N4O/c1-11(12-7-3-2-4-8-12)19-16-13-9-5-6-10-14(13)20-17(21-16)15(18)22/h2-11H,1H3,(H2,18,22)(H,19,20,21)
InChIKeyXDPJEYWBTVMRKI-UHFFFAOYSA-N
XLogP2.90
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid
CID 63868698
1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide
CID 56729237
1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 56729195
2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 2790952
4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine
CID 80783257
2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol
CID 56729182
4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine
CID 80784422
2-N,2-N-diethyl-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729230
4-ethylquinazoline-2-carboxamide;dihydrochloride
CID 89487232
4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid
CID 62405684
N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53008661
4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide
CID 173217946

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethylamino)quinazoline-2-carboxamide?
The IUPAC name of 4-(1-phenylethylamino)quinazoline-2-carboxamide (CID 173085941) is 4-(1-phenylethylamino)quinazoline-2-carboxamide.
What is the SMILES notation for 4-(1-phenylethylamino)quinazoline-2-carboxamide?
The canonical SMILES for 4-(1-phenylethylamino)quinazoline-2-carboxamide is CC(Nc1nc(C(N)=O)nc2ccccc12)c1ccccc1.
What is the InChIKey of 4-(1-phenylethylamino)quinazoline-2-carboxamide?
The InChIKey is XDPJEYWBTVMRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11(12-7-3-2-4-8-12)19-16-13-9-5-6-10-14(13)20-17(21-16)15(18)22/h2-11H,1H3,(H2,18,22)(H,19,20,21).
What are the key properties of 4-(1-phenylethylamino)quinazoline-2-carboxamide?
4-(1-phenylethylamino)quinazoline-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethylamino)quinazoline-2-carboxamide is sourced from PubChem (CID 173085941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).