(2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide

C22H22N4O — CID 92582687

IUPAC(2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCCc2nc(-c3ccncc3)ncc21)c1ccccc1
InChIInChI=1S/C22H22N4O/c1-15(16-6-3-2-4-7-16)22(27)26-20-9-5-8-19-18(20)14-24-21(25-19)17-10-12-23-13-11-17/h2-4,6-7,10-15,20H,5,8-9H2,1H3,(H,26,27)/t15-,20+/m0/s1
InChIKeyIMLIYUAUFXFUMZ-MGPUTAFESA-N
MW358.44 g/mol
LogP3.84
Rot. Bonds4

About (2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide

(2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide (PubChem CID 92582687) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
PubChem CID92582687
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name(2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCCc2nc(-c3ccncc3)ncc21)c1ccccc1
InChIInChI=1S/C22H22N4O/c1-15(16-6-3-2-4-7-16)22(27)26-20-9-5-8-19-18(20)14-24-21(25-19)17-10-12-23-13-11-17/h2-4,6-7,10-15,20H,5,8-9H2,1H3,(H,26,27)/t15-,20+/m0/s1
InChIKeyIMLIYUAUFXFUMZ-MGPUTAFESA-N
XLogP3.84
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide 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 (2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide?
The IUPAC name of (2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide (CID 92582687) is (2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide.
What is the SMILES notation for (2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide?
The canonical SMILES for (2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide is C[C@H](C(=O)N[C@@H]1CCCc2nc(-c3ccncc3)ncc21)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide?
The InChIKey is IMLIYUAUFXFUMZ-MGPUTAFESA-N. The full InChI is InChI=1S/C22H22N4O/c1-15(16-6-3-2-4-7-16)22(27)26-20-9-5-8-19-18(20)14-24-21(25-19)17-10-12-23-13-11-17/h2-4,6-7,10-15,20H,5,8-9H2,1H3,(H,26,27)/t15-,20+/m0/s1.
What are the key properties of (2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide?
(2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide has a molecular weight of 358.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide is sourced from PubChem (CID 92582687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).