N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide

C20H19F2N5O2 — CID 71908170

IUPACN-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide
SMILESNC(=O)CCNC(=O)C(Cc1ccccc1)Nc1ncnc2cc(F)c(F)cc12
InChIInChI=1S/C20H19F2N5O2/c21-14-9-13-16(10-15(14)22)25-11-26-19(13)27-17(8-12-4-2-1-3-5-12)20(29)24-7-6-18(23)28/h1-5,9-11,17H,6-8H2,(H2,23,28)(H,24,29)(H,25,26,27)
InChIKeyHEIFJOMZRBLKEU-UHFFFAOYSA-N
MW399.40 g/mol
LogP1.92
Rot. Bonds8

About N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide

N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide (PubChem CID 71908170) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide
PubChem CID71908170
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC NameN-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide
SMILESNC(=O)CCNC(=O)C(Cc1ccccc1)Nc1ncnc2cc(F)c(F)cc12
InChIInChI=1S/C20H19F2N5O2/c21-14-9-13-16(10-15(14)22)25-11-26-19(13)27-17(8-12-4-2-1-3-5-12)20(29)24-7-6-18(23)28/h1-5,9-11,17H,6-8H2,(H2,23,28)(H,24,29)(H,25,26,27)
InChIKeyHEIFJOMZRBLKEU-UHFFFAOYSA-N
XLogP1.92
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-2-(quinazolin-4-ylamino)propanoate
CID 3679551
4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid
CID 21002705
N-(3-amino-3-oxopropyl)-2-(4-cyano-2-nitroanilino)-3-phenylpropanamide
CID 71908166
N-[4-[2-[(6,7-difluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 99811987
N-(3-amino-3-oxopropyl)-2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]-3-phenylpropanamide
CID 71908167
N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436198
(2R)-2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 122050626
(2R)-2-amino-N-[(2S)-1-[2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 10841941
N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide
CID 91638983
4-amino-2-[(6-methoxyquinazolin-4-yl)amino]-4-oxobutanoic acid
CID 21002885
(2R)-N-(3-amino-3-oxopropyl)-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-phenylpropanamide
CID 97015276
(2R)-N-(3-amino-3-oxopropyl)-2-[(3-chloro-1-benzothiophen-2-yl)carbamoylamino]-3-phenylpropanamide
CID 97081838

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide (CID 71908170) is N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide is NC(=O)CCNC(=O)C(Cc1ccccc1)Nc1ncnc2cc(F)c(F)cc12.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide?
The InChIKey is HEIFJOMZRBLKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c21-14-9-13-16(10-15(14)22)25-11-26-19(13)27-17(8-12-4-2-1-3-5-12)20(29)24-7-6-18(23)28/h1-5,9-11,17H,6-8H2,(H2,23,28)(H,24,29)(H,25,26,27).
What are the key properties of N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide?
N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide has a molecular weight of 399.40 g/mol, XLogP of 1.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide is sourced from PubChem (CID 71908170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).