N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide

C22H23ClN4O3 — CID 2417400

IUPACN-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
SMILESO=C(Cn1c(CN2CCOCC2)nc2ccccc2c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O3/c23-17-7-5-16(6-8-17)13-24-21(28)15-27-20(14-26-9-11-30-12-10-26)25-19-4-2-1-3-18(19)22(27)29/h1-8H,9-15H2,(H,24,28)
InChIKeyFMBXJRMGPWMLSA-UHFFFAOYSA-N
MW426.90 g/mol
LogP2.20
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide (PubChem CID 2417400) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
PubChem CID2417400
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
SMILESO=C(Cn1c(CN2CCOCC2)nc2ccccc2c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O3/c23-17-7-5-16(6-8-17)13-24-21(28)15-27-20(14-26-9-11-30-12-10-26)25-19-4-2-1-3-18(19)22(27)29/h1-8H,9-15H2,(H,24,28)
InChIKeyFMBXJRMGPWMLSA-UHFFFAOYSA-N
XLogP2.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 37153190
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17495918
N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4064442
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 655418
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295466
2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one
CID 94178972
2-(morpholin-4-ylmethyl)-3-[[(2R)-oxan-2-yl]methyl]quinazolin-4-one
CID 94178973
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782099

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide (CID 2417400) is N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide is O=C(Cn1c(CN2CCOCC2)nc2ccccc2c1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is FMBXJRMGPWMLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c23-17-7-5-16(6-8-17)13-24-21(28)15-27-20(14-26-9-11-30-12-10-26)25-19-4-2-1-3-18(19)22(27)29/h1-8H,9-15H2,(H,24,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 426.90 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 2417400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).