(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide

C18H17FN4O — CID 95321688

IUPAC(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide
SMILESNC(=O)[C@@H](CNc1ncnc2ccccc12)Cc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O/c19-14-7-5-12(6-8-14)9-13(17(20)24)10-21-18-15-3-1-2-4-16(15)22-11-23-18/h1-8,11,13H,9-10H2,(H2,20,24)(H,21,22,23)/t13-/m1/s1
InChIKeyCXQCAGPXKAQJPL-CYBMUJFWSA-N
MW324.36 g/mol
LogP2.53
Rot. Bonds6

About (2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide

(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide (PubChem CID 95321688) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide
PubChem CID95321688
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide
SMILESNC(=O)[C@@H](CNc1ncnc2ccccc12)Cc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O/c19-14-7-5-12(6-8-14)9-13(17(20)24)10-21-18-15-3-1-2-4-16(15)22-11-23-18/h1-8,11,13H,9-10H2,(H2,20,24)(H,21,22,23)/t13-/m1/s1
InChIKeyCXQCAGPXKAQJPL-CYBMUJFWSA-N
XLogP2.53
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide
CID 133454024
2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 56826029
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 95583455
2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 133453986
(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 97120503
2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 75442225
methyl 2-[[(6-bromoquinazolin-4-yl)amino]methyl]-3-(4-hydroxyphenyl)propanoate
CID 86951849
N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436198
(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 94817432
N-ethylquinazolin-4-amine;fluorobenzene
CID 174725840
(2S)-2-[(4-fluorophenyl)methyl]-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 95317473

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide?
The IUPAC name of (2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide (CID 95321688) is (2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide is NC(=O)[C@@H](CNc1ncnc2ccccc12)Cc1ccc(F)cc1.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide?
The InChIKey is CXQCAGPXKAQJPL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-14-7-5-12(6-8-14)9-13(17(20)24)10-21-18-15-3-1-2-4-16(15)22-11-23-18/h1-8,11,13H,9-10H2,(H2,20,24)(H,21,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide?
(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide has a molecular weight of 324.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide is sourced from PubChem (CID 95321688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).