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

C18H18N4O2 — CID 66763057

IUPAC4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide
SMILESCOC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-24-10-15(12-6-3-2-4-7-12)22-18-14-9-5-8-13(17(19)23)16(14)20-11-21-18/h2-9,11,15H,10H2,1H3,(H2,19,23)(H,20,21,22)/t15-/m1/s1
InChIKeyZJXWWGHDOHRWOE-OAHLLOKOSA-N
MW322.37 g/mol
LogP2.53
Rot. Bonds6

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

4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide (PubChem CID 66763057) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide
PubChem CID66763057
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide
SMILESCOC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-24-10-15(12-6-3-2-4-7-12)22-18-14-9-5-8-13(17(19)23)16(14)20-11-21-18/h2-9,11,15H,10H2,1H3,(H2,19,23)(H,20,21,22)/t15-/m1/s1
InChIKeyZJXWWGHDOHRWOE-OAHLLOKOSA-N
XLogP2.53
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(1S)-2-methoxy-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

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide (CID 66763057) is 4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide is COC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1.
What is the InChIKey of 4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide?
The InChIKey is ZJXWWGHDOHRWOE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-10-15(12-6-3-2-4-7-12)22-18-14-9-5-8-13(17(19)23)16(14)20-11-21-18/h2-9,11,15H,10H2,1H3,(H2,19,23)(H,20,21,22)/t15-/m1/s1.
What are the key properties of 4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide?
4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).