3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide

C19H23N3O — CID 25454443

IUPAC3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
SMILESCC(C)CC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21
InChIInChI=1S/C19H23N3O/c1-13(2)11-18(23)21-16-9-6-10-17-15(16)12-20-19(22-17)14-7-4-3-5-8-14/h3-5,7-8,12-13,16H,6,9-11H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyFREUJUUXBOGLBC-INIZCTEOSA-N
MW309.41 g/mol
LogP3.68
Rot. Bonds4

About 3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide

3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide (PubChem CID 25454443) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
PubChem CID25454443
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
SMILESCC(C)CC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21
InChIInChI=1S/C19H23N3O/c1-13(2)11-18(23)21-16-9-6-10-17-15(16)12-20-19(22-17)14-7-4-3-5-8-14/h3-5,7-8,12-13,16H,6,9-11H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyFREUJUUXBOGLBC-INIZCTEOSA-N
XLogP3.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 25453314
3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 72860377
2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 97127538
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 45214726
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]but-2-ynamide
CID 26404996
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
(2R)-2-phenyl-N-[(5S)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582688
(2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582687
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
2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 45251959
2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72852912

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide?
The IUPAC name of 3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide (CID 25454443) is 3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide?
The canonical SMILES for 3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide is CC(C)CC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21.
What is the InChIKey of 3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide?
The InChIKey is FREUJUUXBOGLBC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13(2)11-18(23)21-16-9-6-10-17-15(16)12-20-19(22-17)14-7-4-3-5-8-14/h3-5,7-8,12-13,16H,6,9-11H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide?
3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide has a molecular weight of 309.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide is sourced from PubChem (CID 25454443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).