N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide

C18H18N4O2 — CID 110437187

IUPACN-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide
SMILESCOc1ccccc1NC(=O)CCNc1ncnc2ccccc12
InChIInChI=1S/C18H18N4O2/c1-24-16-9-5-4-8-15(16)22-17(23)10-11-19-18-13-6-2-3-7-14(13)20-12-21-18/h2-9,12H,10-11H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyGMPFQTOTSWXGCF-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.08
Rot. Bonds6

About N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide

N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide (PubChem CID 110437187) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide
PubChem CID110437187
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide
SMILESCOc1ccccc1NC(=O)CCNc1ncnc2ccccc12
InChIInChI=1S/C18H18N4O2/c1-24-16-9-5-4-8-15(16)22-17(23)10-11-19-18-13-6-2-3-7-14(13)20-12-21-18/h2-9,12H,10-11H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyGMPFQTOTSWXGCF-UHFFFAOYSA-N
XLogP3.08
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437211
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
2-(2-methoxyphenoxy)-N'-quinazolin-4-ylacetohydrazide
CID 21002383
3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 109039398
N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
3-(2,6-diethylanilino)-N-(2-methoxyphenyl)propanamide
CID 109037115
3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide
CID 109039232
N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide
CID 110437127
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109039356
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide (CID 110437187) is N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide is COc1ccccc1NC(=O)CCNc1ncnc2ccccc12.
What is the InChIKey of N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide?
The InChIKey is GMPFQTOTSWXGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-16-9-5-4-8-15(16)22-17(23)10-11-19-18-13-6-2-3-7-14(13)20-12-21-18/h2-9,12H,10-11H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide?
N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide has a molecular weight of 322.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide is sourced from PubChem (CID 110437187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).