2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide

C22H26N6O2 — CID 175130652

IUPAC2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide
SMILESCC(NC(=O)C(N)CCc1ccccc1)C(=O)NCc1ccc2c(N)ncnc2c1
InChIInChI=1S/C22H26N6O2/c1-14(28-22(30)18(23)10-8-15-5-3-2-4-6-15)21(29)25-12-16-7-9-17-19(11-16)26-13-27-20(17)24/h2-7,9,11,13-14,18H,8,10,12,23H2,1H3,(H,25,29)(H,28,30)(H2,24,26,27)
InChIKeyNAASDHROIDTLML-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.29
Rot. Bonds8

About 2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide

2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide (PubChem CID 175130652) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide
PubChem CID175130652
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide
SMILESCC(NC(=O)C(N)CCc1ccccc1)C(=O)NCc1ccc2c(N)ncnc2c1
InChIInChI=1S/C22H26N6O2/c1-14(28-22(30)18(23)10-8-15-5-3-2-4-6-15)21(29)25-12-16-7-9-17-19(11-16)26-13-27-20(17)24/h2-7,9,11,13-14,18H,8,10,12,23H2,1H3,(H,25,29)(H,28,30)(H2,24,26,27)
InChIKeyNAASDHROIDTLML-UHFFFAOYSA-N
XLogP1.29
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide with MolForge

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Related Compounds

[(2R)-1-[[(2S)-1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate
CID 175136317
(2R)-2-amino-N-[(2S)-1-[(2-amino-4-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide;dihydrochloride
CID 156653750
(2R)-2-amino-N-[(2R)-1-[(2-amino-3H-benzimidazol-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide
CID 156851596
(2R)-2-amino-N-[(2S)-1-[[6-(aminomethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide;dihydrochloride
CID 156653759
(2R)-2-amino-N-[(2S)-5-(1-aminoisoquinolin-6-yl)-3-oxopentan-2-yl]-4-phenylbutanamide
CID 167606021
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2R)-2-amino-N-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide
CID 147930560
(2R)-2-amino-N-[(2S)-1-[[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide
CID 156653864
(2S)-2-amino-N-[[3-(aminomethyl)phenyl]methyl]-4-phenylbutanamide;dihydrochloride
CID 138011974
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide?
The IUPAC name of 2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide (CID 175130652) is 2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide is CC(NC(=O)C(N)CCc1ccccc1)C(=O)NCc1ccc2c(N)ncnc2c1.
What is the InChIKey of 2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide?
The InChIKey is NAASDHROIDTLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14(28-22(30)18(23)10-8-15-5-3-2-4-6-15)21(29)25-12-16-7-9-17-19(11-16)26-13-27-20(17)24/h2-7,9,11,13-14,18H,8,10,12,23H2,1H3,(H,25,29)(H,28,30)(H2,24,26,27).
What are the key properties of 2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide?
2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide has a molecular weight of 406.49 g/mol, XLogP of 1.29, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide is sourced from PubChem (CID 175130652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).