2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

C23H23N3O2 — CID 25453314

IUPAC2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
SMILESCOc1ccccc1CC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21
InChIInChI=1S/C23H23N3O2/c1-28-21-13-6-5-10-17(21)14-22(27)25-19-11-7-12-20-18(19)15-24-23(26-20)16-8-3-2-4-9-16/h2-6,8-10,13,15,19H,7,11-12,14H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyPTRIENXRZHMQOG-IBGZPJMESA-N
MW373.46 g/mol
LogP3.89
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide (PubChem CID 25453314) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
PubChem CID25453314
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
SMILESCOc1ccccc1CC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21
InChIInChI=1S/C23H23N3O2/c1-28-21-13-6-5-10-17(21)14-22(27)25-19-11-7-12-20-18(19)15-24-23(26-20)16-8-3-2-4-9-16/h2-6,8-10,13,15,19H,7,11-12,14H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyPTRIENXRZHMQOG-IBGZPJMESA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 97127538
3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 72860377
2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72852912
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
CID 95384867
2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide
CID 56731428
(2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582687
2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 45251959
2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95384913
N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide
CID 97129063
2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689758
N-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009305

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide (CID 25453314) is 2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide is COc1ccccc1CC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The InChIKey is PTRIENXRZHMQOG-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23N3O2/c1-28-21-13-6-5-10-17(21)14-22(27)25-19-11-7-12-20-18(19)15-24-23(26-20)16-8-3-2-4-9-16/h2-6,8-10,13,15,19H,7,11-12,14H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of 2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide is sourced from PubChem (CID 25453314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).