3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide

C18H17N3O3 — CID 170160312

IUPAC3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide
SMILESCOc1cc2c(-c3ccc(CCC(N)=O)cc3)ncnc2cc1O
InChIInChI=1S/C18H17N3O3/c1-24-16-8-13-14(9-15(16)22)20-10-21-18(13)12-5-2-11(3-6-12)4-7-17(19)23/h2-3,5-6,8-10,22H,4,7H2,1H3,(H2,19,23)
InChIKeyCUHMWQJCAFPACO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.43
Rot. Bonds5

About 3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide

3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide (PubChem CID 170160312) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide
PubChem CID170160312
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide
SMILESCOc1cc2c(-c3ccc(CCC(N)=O)cc3)ncnc2cc1O
InChIInChI=1S/C18H17N3O3/c1-24-16-8-13-14(9-15(16)22)20-10-21-18(13)12-5-2-11(3-6-12)4-7-17(19)23/h2-3,5-6,8-10,22H,4,7H2,1H3,(H2,19,23)
InChIKeyCUHMWQJCAFPACO-UHFFFAOYSA-N
XLogP2.43
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-amino-3-[4-(aminomethyl)phenyl]-2-[4-(6,7-dimethoxyquinazolin-4-yl)phenyl]prop-2-enoic acid;hydrochloride
CID 175258585
4-amino-6-methoxyquinazolin-7-ol
CID 135697903
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
[5-(6,7-dimethoxyquinazolin-4-yl)-2-pyridinyl]methylphosphonous acid
CID 163399431
2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 170159674
(3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone
CID 177390054
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
CID 25054917
4-(1,3-dihydroisoindol-2-yl)-6-methoxyquinazolin-7-ol
CID 143413846
2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 170160385

Frequently Asked Questions

What is the IUPAC name of 3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide?
The IUPAC name of 3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide (CID 170160312) is 3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide?
The canonical SMILES for 3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide is COc1cc2c(-c3ccc(CCC(N)=O)cc3)ncnc2cc1O.
What is the InChIKey of 3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide?
The InChIKey is CUHMWQJCAFPACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-16-8-13-14(9-15(16)22)20-10-21-18(13)12-5-2-11(3-6-12)4-7-17(19)23/h2-3,5-6,8-10,22H,4,7H2,1H3,(H2,19,23).
What are the key properties of 3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide?
3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide has a molecular weight of 323.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide is sourced from PubChem (CID 170160312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).