2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide

C25H31N7O2 — CID 173079915

IUPAC2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide
SMILESCN1CCN(c2nc(N)nc3cc(C(=O)N[C@@H](Cc4ccccc4)C(=O)N(C)C)ccc23)CC1
InChIInChI=1S/C25H31N7O2/c1-30(2)24(34)21(15-17-7-5-4-6-8-17)27-23(33)18-9-10-19-20(16-18)28-25(26)29-22(19)32-13-11-31(3)12-14-32/h4-10,16,21H,11-15H2,1-3H3,(H,27,33)(H2,26,28,29)/t21-/m0/s1
InChIKeySSSHARHMYFKCTC-NRFANRHFSA-N
MW461.57 g/mol
LogP1.39
Rot. Bonds6

About 2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide

2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide (PubChem CID 173079915) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide
PubChem CID173079915
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide
SMILESCN1CCN(c2nc(N)nc3cc(C(=O)N[C@@H](Cc4ccccc4)C(=O)N(C)C)ccc23)CC1
InChIInChI=1S/C25H31N7O2/c1-30(2)24(34)21(15-17-7-5-4-6-8-17)27-23(33)18-9-10-19-20(16-18)28-25(26)29-22(19)32-13-11-31(3)12-14-32/h4-10,16,21H,11-15H2,1-3H3,(H,27,33)(H2,26,28,29)/t21-/m0/s1
InChIKeySSSHARHMYFKCTC-NRFANRHFSA-N
XLogP1.39
TPSA107.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide?
The IUPAC name of 2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide (CID 173079915) is 2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide.
What is the SMILES notation for 2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide?
The canonical SMILES for 2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide is CN1CCN(c2nc(N)nc3cc(C(=O)N[C@@H](Cc4ccccc4)C(=O)N(C)C)ccc23)CC1.
What is the InChIKey of 2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide?
The InChIKey is SSSHARHMYFKCTC-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-30(2)24(34)21(15-17-7-5-4-6-8-17)27-23(33)18-9-10-19-20(16-18)28-25(26)29-22(19)32-13-11-31(3)12-14-32/h4-10,16,21H,11-15H2,1-3H3,(H,27,33)(H2,26,28,29)/t21-/m0/s1.
What are the key properties of 2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide?
2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide is sourced from PubChem (CID 173079915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).