N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

C28H29N5O3 — CID 11081393

IUPACN-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Cc5ccccc5)cc4)CC3)c2cc1OC
InChIInChI=1S/C28H29N5O3/c1-35-25-17-23-24(18-26(25)36-2)29-19-30-27(23)32-12-14-33(15-13-32)28(34)31-22-10-8-21(9-11-22)16-20-6-4-3-5-7-20/h3-11,17-19H,12-16H2,1-2H3,(H,31,34)
InChIKeyJXZXYAHOZFCXJD-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.59
Rot. Bonds6

About N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide (PubChem CID 11081393) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
PubChem CID11081393
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC NameN-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Cc5ccccc5)cc4)CC3)c2cc1OC
InChIInChI=1S/C28H29N5O3/c1-35-25-17-23-24(18-26(25)36-2)29-19-30-27(23)32-12-14-33(15-13-32)28(34)31-22-10-8-21(9-11-22)16-20-6-4-3-5-7-20/h3-11,17-19H,12-16H2,1-2H3,(H,31,34)
InChIKeyJXZXYAHOZFCXJD-UHFFFAOYSA-N
XLogP4.59
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide (CID 11081393) is N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide is COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Cc5ccccc5)cc4)CC3)c2cc1OC.
What is the InChIKey of N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
The InChIKey is JXZXYAHOZFCXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-35-25-17-23-24(18-26(25)36-2)29-19-30-27(23)32-12-14-33(15-13-32)28(34)31-22-10-8-21(9-11-22)16-20-6-4-3-5-7-20/h3-11,17-19H,12-16H2,1-2H3,(H,31,34).
What are the key properties of N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 11081393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).