[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate

C28H22N6O3 — CID 67298380

IUPAC[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OC(=O)NCc3ccccc3)cc12
InChIInChI=1S/C28H22N6O3/c29-25(35)21-10-4-5-11-23(21)33-27-22-15-20(37-28(36)31-16-18-7-2-1-3-8-18)12-13-24(22)32-26(34-27)19-9-6-14-30-17-19/h1-15,17H,16H2,(H2,29,35)(H,31,36)(H,32,33,34)
InChIKeyXNLWKCFGCVEWQJ-UHFFFAOYSA-N
MW490.52 g/mol
LogP4.82
Rot. Bonds7

About [4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate

[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate (PubChem CID 67298380) has the molecular formula C28H22N6O3 and a molecular weight of 490.52 g/mol. Its IUPAC name is [4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
PubChem CID67298380
Molecular FormulaC28H22N6O3
Molecular Weight490.52 g/mol
Exact Mass490.18
IUPAC Name[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OC(=O)NCc3ccccc3)cc12
InChIInChI=1S/C28H22N6O3/c29-25(35)21-10-4-5-11-23(21)33-27-22-15-20(37-28(36)31-16-18-7-2-1-3-8-18)12-13-24(22)32-26(34-27)19-9-6-14-30-17-19/h1-15,17H,16H2,(H2,29,35)(H,31,36)(H,32,33,34)
InChIKeyXNLWKCFGCVEWQJ-UHFFFAOYSA-N
XLogP4.82
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate?
The IUPAC name of [4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate (CID 67298380) is [4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate.
What is the SMILES notation for [4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate?
The canonical SMILES for [4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate is NC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OC(=O)NCc3ccccc3)cc12.
What is the InChIKey of [4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate?
The InChIKey is XNLWKCFGCVEWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O3/c29-25(35)21-10-4-5-11-23(21)33-27-22-15-20(37-28(36)31-16-18-7-2-1-3-8-18)12-13-24(22)32-26(34-27)19-9-6-14-30-17-19/h1-15,17H,16H2,(H2,29,35)(H,31,36)(H,32,33,34).
What are the key properties of [4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate?
[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate has a molecular weight of 490.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate is sourced from PubChem (CID 67298380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).