N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide

C28H34N4O4 — CID 53316870

IUPACN-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
SMILESCc1ccccc1-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
InChIInChI=1S/C28H34N4O4/c1-20-5-2-3-6-23(20)27-30-25-10-9-22(36-14-4-11-31-12-15-35-16-13-31)17-24(25)28(34)32(27)19-26(33)29-18-21-7-8-21/h2-3,5-6,9-10,17,21H,4,7-8,11-16,18-19H2,1H3,(H,29,33)
InChIKeyMHXHTRGJBGDKFZ-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.00
Rot. Bonds10

About N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide

N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide (PubChem CID 53316870) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
PubChem CID53316870
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
SMILESCc1ccccc1-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
InChIInChI=1S/C28H34N4O4/c1-20-5-2-3-6-23(20)27-30-25-10-9-22(36-14-4-11-31-12-15-35-16-13-31)17-24(25)28(34)32(27)19-26(33)29-18-21-7-8-21/h2-3,5-6,9-10,17,21H,4,7-8,11-16,18-19H2,1H3,(H,29,33)
InChIKeyMHXHTRGJBGDKFZ-UHFFFAOYSA-N
XLogP3.00
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide (CID 53316870) is N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide is Cc1ccccc1-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is MHXHTRGJBGDKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-20-5-2-3-6-23(20)27-30-25-10-9-22(36-14-4-11-31-12-15-35-16-13-31)17-24(25)28(34)32(27)19-26(33)29-18-21-7-8-21/h2-3,5-6,9-10,17,21H,4,7-8,11-16,18-19H2,1H3,(H,29,33).
What are the key properties of N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide?
N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 490.60 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[2-(2-methylphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 53316870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).