N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide

C19H19FN4O — CID 110436198

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide
SMILESCC(Nc1ncnc2ccccc12)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O/c1-13(19(25)21-11-10-14-6-8-15(20)9-7-14)24-18-16-4-2-3-5-17(16)22-12-23-18/h2-9,12-13H,10-11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyYAWUTCZWGLYVPR-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.93
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide

N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide (PubChem CID 110436198) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide
PubChem CID110436198
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide
SMILESCC(Nc1ncnc2ccccc12)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O/c1-13(19(25)21-11-10-14-6-8-15(20)9-7-14)24-18-16-4-2-3-5-17(16)22-12-23-18/h2-9,12-13H,10-11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyYAWUTCZWGLYVPR-UHFFFAOYSA-N
XLogP2.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436209
N-(1,3-benzodioxol-5-ylmethyl)-2-(quinazolin-4-ylamino)propanamide
CID 110436193
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145085
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide
CID 95321688
(2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide
CID 124842175
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 47403939
(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206
1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
CID 110436995
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide (CID 110436198) is N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide is CC(Nc1ncnc2ccccc12)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide?
The InChIKey is YAWUTCZWGLYVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13(19(25)21-11-10-14-6-8-15(20)9-7-14)24-18-16-4-2-3-5-17(16)22-12-23-18/h2-9,12-13H,10-11H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide?
N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide has a molecular weight of 338.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide is sourced from PubChem (CID 110436198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).