N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

C22H23N5O5 — CID 11070177

IUPACN-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2cc1OC
InChIInChI=1S/C22H23N5O5/c1-29-18-10-15-16(11-19(18)30-2)23-12-24-21(15)26-5-7-27(8-6-26)22(28)25-14-3-4-17-20(9-14)32-13-31-17/h3-4,9-12H,5-8,13H2,1-2H3,(H,25,28)
InChIKeyLBXBIZHFHJQNEC-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.73
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide (PubChem CID 11070177) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
PubChem CID11070177
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2cc1OC
InChIInChI=1S/C22H23N5O5/c1-29-18-10-15-16(11-19(18)30-2)23-12-24-21(15)26-5-7-27(8-6-26)22(28)25-14-3-4-17-20(9-14)32-13-31-17/h3-4,9-12H,5-8,13H2,1-2H3,(H,25,28)
InChIKeyLBXBIZHFHJQNEC-UHFFFAOYSA-N
XLogP2.73
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide (CID 11070177) is N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide is COc1cc2ncnc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2cc1OC.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
The InChIKey is LBXBIZHFHJQNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-29-18-10-15-16(11-19(18)30-2)23-12-24-21(15)26-5-7-27(8-6-26)22(28)25-14-3-4-17-20(9-14)32-13-31-17/h3-4,9-12H,5-8,13H2,1-2H3,(H,25,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 11070177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).