3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide

C19H23N3O2 — CID 77085781

IUPAC3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)CCc2ccc(O)cc2)nc2c1CCCC2
InChIInChI=1S/C19H23N3O2/c1-13-16-4-2-3-5-17(16)22-18(21-13)12-20-19(24)11-8-14-6-9-15(23)10-7-14/h6-7,9-10,23H,2-5,8,11-12H2,1H3,(H,20,24)
InChIKeyXTNZMWLSRPVTKV-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.62
Rot. Bonds5

About 3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide

3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide (PubChem CID 77085781) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide
PubChem CID77085781
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)CCc2ccc(O)cc2)nc2c1CCCC2
InChIInChI=1S/C19H23N3O2/c1-13-16-4-2-3-5-17(16)22-18(21-13)12-20-19(24)11-8-14-6-9-15(23)10-7-14/h6-7,9-10,23H,2-5,8,11-12H2,1H3,(H,20,24)
InChIKeyXTNZMWLSRPVTKV-UHFFFAOYSA-N
XLogP2.62
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide
CID 90647402
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide
CID 97130347
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 131891615
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
CID 72872117
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide
CID 56739994
3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propanoic acid
CID 105494737
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70760400
(3R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97282504
4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide
CID 90650914
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126448514
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
CID 91834323

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide (CID 77085781) is 3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide is Cc1nc(CNC(=O)CCc2ccc(O)cc2)nc2c1CCCC2.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide?
The InChIKey is XTNZMWLSRPVTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-16-4-2-3-5-17(16)22-18(21-13)12-20-19(24)11-8-14-6-9-15(23)10-7-14/h6-7,9-10,23H,2-5,8,11-12H2,1H3,(H,20,24).
What are the key properties of 3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide?
3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide has a molecular weight of 325.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 77085781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).