4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide

C26H25N5O3 — CID 66762598

IUPAC4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
SMILESCOCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H25N5O3/c1-34-14-13-22(31-25-21-12-6-11-20(24(27)32)23(21)28-16-29-25)18-9-5-10-19(15-18)30-26(33)17-7-3-2-4-8-17/h2-12,15-16,22H,13-14H2,1H3,(H2,27,32)(H,30,33)(H,28,29,31)
InChIKeyYOZQOXRJRWBJBE-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.17
Rot. Bonds9

About 4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide

4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide (PubChem CID 66762598) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
PubChem CID66762598
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
SMILESCOCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H25N5O3/c1-34-14-13-22(31-25-21-12-6-11-20(24(27)32)23(21)28-16-29-25)18-9-5-10-19(15-18)30-26(33)17-7-3-2-4-8-17/h2-12,15-16,22H,13-14H2,1H3,(H2,27,32)(H,30,33)(H,28,29,31)
InChIKeyYOZQOXRJRWBJBE-UHFFFAOYSA-N
XLogP4.17
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide (CID 66762598) is 4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide is COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide?
The InChIKey is YOZQOXRJRWBJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-34-14-13-22(31-25-21-12-6-11-20(24(27)32)23(21)28-16-29-25)18-9-5-10-19(15-18)30-26(33)17-7-3-2-4-8-17/h2-12,15-16,22H,13-14H2,1H3,(H2,27,32)(H,30,33)(H,28,29,31).
What are the key properties of 4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide?
4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66762598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).