4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide

C17H17N5O — CID 46869309

IUPAC4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide
SMILESNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C17H17N5O/c18-9-14(11-5-2-1-3-6-11)22-17-13-8-4-7-12(16(19)23)15(13)20-10-21-17/h1-8,10,14H,9,18H2,(H2,19,23)(H,20,21,22)/t14-/m1/s1
InChIKeyUFMCGKYLIYMLOY-CQSZACIVSA-N
MW307.36 g/mol
LogP1.84
Rot. Bonds5

About 4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide

4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide (PubChem CID 46869309) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide
PubChem CID46869309
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide
SMILESNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C17H17N5O/c18-9-14(11-5-2-1-3-6-11)22-17-13-8-4-7-12(16(19)23)15(13)20-10-21-17/h1-8,10,14H,9,18H2,(H2,19,23)(H,20,21,22)/t14-/m1/s1
InChIKeyUFMCGKYLIYMLOY-CQSZACIVSA-N
XLogP1.84
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

M-2698
CID 89808643
4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
CID 66763327
VX-984
CID 72188357
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
CID 46869910
2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide
CID 49872246
2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-6-fluoro-N-methyl-3-phenylquinoline-4-carboxamide
CID 49872645
4-[[1-(3-Fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 66762174
4-[(3,5-Difluorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763104
4-[(2,4-Difluorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763159
4-[[(1S)-2-(azetidin-1-yl)-1-(3,4-difluorophenyl)ethyl]amino]quinazoline-8-carboxamide
CID 67819604
4-[[(1S)-2-(azetidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 67819612

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide (CID 46869309) is 4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide is NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1.
What is the InChIKey of 4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide?
The InChIKey is UFMCGKYLIYMLOY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N5O/c18-9-14(11-5-2-1-3-6-11)22-17-13-8-4-7-12(16(19)23)15(13)20-10-21-17/h1-8,10,14H,9,18H2,(H2,19,23)(H,20,21,22)/t14-/m1/s1.
What are the key properties of 4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide?
4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-2-amino-1-phenylethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 46869309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).