2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide

C23H28N6O — CID 59496599

IUPAC2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide
SMILESCN1CCN(c2nc(N)nc3cc(C(=O)NC(C)(C)c4ccccc4)ccc23)CC1
InChIInChI=1S/C23H28N6O/c1-23(2,17-7-5-4-6-8-17)27-21(30)16-9-10-18-19(15-16)25-22(24)26-20(18)29-13-11-28(3)12-14-29/h4-10,15H,11-14H2,1-3H3,(H,27,30)(H2,24,25,26)
InChIKeyFLHSLDTVXXREMQ-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.63
Rot. Bonds4

About 2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide

2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide (PubChem CID 59496599) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide
PubChem CID59496599
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide
SMILESCN1CCN(c2nc(N)nc3cc(C(=O)NC(C)(C)c4ccccc4)ccc23)CC1
InChIInChI=1S/C23H28N6O/c1-23(2,17-7-5-4-6-8-17)27-21(30)16-9-10-18-19(15-16)25-22(24)26-20(18)29-13-11-28(3)12-14-29/h4-10,15H,11-14H2,1-3H3,(H,27,30)(H2,24,25,26)
InChIKeyFLHSLDTVXXREMQ-UHFFFAOYSA-N
XLogP2.63
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide?
The IUPAC name of 2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide (CID 59496599) is 2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide.
What is the SMILES notation for 2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide?
The canonical SMILES for 2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide is CN1CCN(c2nc(N)nc3cc(C(=O)NC(C)(C)c4ccccc4)ccc23)CC1.
What is the InChIKey of 2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide?
The InChIKey is FLHSLDTVXXREMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-23(2,17-7-5-4-6-8-17)27-21(30)16-9-10-18-19(15-16)25-22(24)26-20(18)29-13-11-28(3)12-14-29/h4-10,15H,11-14H2,1-3H3,(H,27,30)(H2,24,25,26).
What are the key properties of 2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide?
2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide is sourced from PubChem (CID 59496599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).