4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide

C25H23N5O3 — CID 66762401

IUPAC4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide
SMILESCOCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C25H23N5O3/c1-33-14-21(30-24-20-12-6-11-19(23(26)31)22(20)27-15-28-24)17-9-5-10-18(13-17)29-25(32)16-7-3-2-4-8-16/h2-13,15,21H,14H2,1H3,(H2,26,31)(H,29,32)(H,27,28,30)
InChIKeyCXSMTMCUUMPVML-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.78
Rot. Bonds8

About 4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide

4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide (PubChem CID 66762401) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide
PubChem CID66762401
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide
SMILESCOCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C25H23N5O3/c1-33-14-21(30-24-20-12-6-11-19(23(26)31)22(20)27-15-28-24)17-9-5-10-18(13-17)29-25(32)16-7-3-2-4-8-16/h2-13,15,21H,14H2,1H3,(H2,26,31)(H,29,32)(H,27,28,30)
InChIKeyCXSMTMCUUMPVML-UHFFFAOYSA-N
XLogP3.78
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.78
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)-2-methoxyethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide (CID 66762401) is 4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide is COCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide?
The InChIKey is CXSMTMCUUMPVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-33-14-21(30-24-20-12-6-11-19(23(26)31)22(20)27-15-28-24)17-9-5-10-18(13-17)29-25(32)16-7-3-2-4-8-16/h2-13,15,21H,14H2,1H3,(H2,26,31)(H,29,32)(H,27,28,30).
What are the key properties of 4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide?
4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66762401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).