N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide

C28H34N4O4 — CID 68688428

IUPACN-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide
SMILESC[C@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)N(C)C3CC3)c(=O)c2c1)CN1CCOCC1
InChIInChI=1S/C28H34N4O4/c1-20(17-31-12-14-35-15-13-31)19-36-23-10-11-25-24(16-23)28(34)32(18-26(33)30(2)22-8-9-22)27(29-25)21-6-4-3-5-7-21/h3-7,10-11,16,20,22H,8-9,12-15,17-19H2,1-2H3/t20-/m0/s1
InChIKeySCGWGWOAPOWLOP-FQEVSTJZSA-N
MW490.60 g/mol
LogP3.03
Rot. Bonds9

About N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide

N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide (PubChem CID 68688428) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide
PubChem CID68688428
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide
SMILESC[C@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)N(C)C3CC3)c(=O)c2c1)CN1CCOCC1
InChIInChI=1S/C28H34N4O4/c1-20(17-31-12-14-35-15-13-31)19-36-23-10-11-25-24(16-23)28(34)32(18-26(33)30(2)22-8-9-22)27(29-25)21-6-4-3-5-7-21/h3-7,10-11,16,20,22H,8-9,12-15,17-19H2,1-2H3/t20-/m0/s1
InChIKeySCGWGWOAPOWLOP-FQEVSTJZSA-N
XLogP3.03
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide (CID 68688428) is N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide is C[C@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)N(C)C3CC3)c(=O)c2c1)CN1CCOCC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide?
The InChIKey is SCGWGWOAPOWLOP-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-20(17-31-12-14-35-15-13-31)19-36-23-10-11-25-24(16-23)28(34)32(18-26(33)30(2)22-8-9-22)27(29-25)21-6-4-3-5-7-21/h3-7,10-11,16,20,22H,8-9,12-15,17-19H2,1-2H3/t20-/m0/s1.
What are the key properties of N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide?
N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide has a molecular weight of 490.60 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide is sourced from PubChem (CID 68688428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).