3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol

C19H21N3O — CID 133397480

IUPAC3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol
SMILESCc1cccc2ncnc(NC(C)C(O)Cc3ccccc3)c12
InChIInChI=1S/C19H21N3O/c1-13-7-6-10-16-18(13)19(21-12-20-16)22-14(2)17(23)11-15-8-4-3-5-9-15/h3-10,12,14,17,23H,11H2,1-2H3,(H,20,21,22)
InChIKeyNBDSHGKHUMACSR-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.34
Rot. Bonds5

About 3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol

3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol (PubChem CID 133397480) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol
PubChem CID133397480
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol
SMILESCc1cccc2ncnc(NC(C)C(O)Cc3ccccc3)c12
InChIInChI=1S/C19H21N3O/c1-13-7-6-10-16-18(13)19(21-12-20-16)22-14(2)17(23)11-15-8-4-3-5-9-15/h3-10,12,14,17,23H,11H2,1-2H3,(H,20,21,22)
InChIKeyNBDSHGKHUMACSR-UHFFFAOYSA-N
XLogP3.34
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate
CID 133363416
5-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]quinazolin-4-amine
CID 133361511
N-(1-cyclobutylethyl)-5-methylquinazolin-4-amine
CID 133417844
5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386780
1-phenyl-3-(pyridin-2-ylamino)butan-2-ol
CID 133400189
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol
CID 133400269
3-(1,3-benzothiazol-2-ylamino)-1-phenylbutan-2-ol
CID 133400238
5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 87057014
(2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 140546721
1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol
CID 142689562
2-methoxy-N-(5-methylquinazolin-4-yl)propane-1-sulfonamide
CID 154769119
(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol
CID 97238015

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol?
The IUPAC name of 3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol (CID 133397480) is 3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol.
What is the SMILES notation for 3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol?
The canonical SMILES for 3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol is Cc1cccc2ncnc(NC(C)C(O)Cc3ccccc3)c12.
What is the InChIKey of 3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol?
The InChIKey is NBDSHGKHUMACSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-7-6-10-16-18(13)19(21-12-20-16)22-14(2)17(23)11-15-8-4-3-5-9-15/h3-10,12,14,17,23H,11H2,1-2H3,(H,20,21,22).
What are the key properties of 3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol?
3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol has a molecular weight of 307.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol is sourced from PubChem (CID 133397480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).