N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide

C17H16N4O2 — CID 110437211

IUPACN-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
SMILESO=C(CCNc1ncnc2ccccc12)Nc1ccc(O)cc1
InChIInChI=1S/C17H16N4O2/c22-13-7-5-12(6-8-13)21-16(23)9-10-18-17-14-3-1-2-4-15(14)19-11-20-17/h1-8,11,22H,9-10H2,(H,21,23)(H,18,19,20)
InChIKeyWHUAKHHHFWZCCR-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.78
Rot. Bonds5

About N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide

N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide (PubChem CID 110437211) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
PubChem CID110437211
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
SMILESO=C(CCNc1ncnc2ccccc12)Nc1ccc(O)cc1
InChIInChI=1S/C17H16N4O2/c22-13-7-5-12(6-8-13)21-16(23)9-10-18-17-14-3-1-2-4-15(14)19-11-20-17/h1-8,11,22H,9-10H2,(H,21,23)(H,18,19,20)
InChIKeyWHUAKHHHFWZCCR-UHFFFAOYSA-N
XLogP2.78
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437187
N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide
CID 110437164
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide
CID 110436099
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide
CID 110436119
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide
CID 110436131
N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436147
N-[4-(2-phenylethylamino)quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide
CID 69463534

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide (CID 110437211) is N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide is O=C(CCNc1ncnc2ccccc12)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide?
The InChIKey is WHUAKHHHFWZCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-13-7-5-12(6-8-13)21-16(23)9-10-18-17-14-3-1-2-4-15(14)19-11-20-17/h1-8,11,22H,9-10H2,(H,21,23)(H,18,19,20).
What are the key properties of N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide?
N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide has a molecular weight of 308.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide is sourced from PubChem (CID 110437211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).