N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide

C18H26N4O2 — CID 45248149

IUPACN-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide
SMILESCC1(C)Cc2nc(N3CCOCC3)ncc2C(NC(=O)C2CC2)C1
InChIInChI=1S/C18H26N4O2/c1-18(2)9-14(20-16(23)12-3-4-12)13-11-19-17(21-15(13)10-18)22-5-7-24-8-6-22/h11-12,14H,3-10H2,1-2H3,(H,20,23)
InChIKeyBFLNPXOKBSRRNE-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.85
Rot. Bonds3

About N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide

N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide (PubChem CID 45248149) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide
PubChem CID45248149
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide
SMILESCC1(C)Cc2nc(N3CCOCC3)ncc2C(NC(=O)C2CC2)C1
InChIInChI=1S/C18H26N4O2/c1-18(2)9-14(20-16(23)12-3-4-12)13-11-19-17(21-15(13)10-18)22-5-7-24-8-6-22/h11-12,14H,3-10H2,1-2H3,(H,20,23)
InChIKeyBFLNPXOKBSRRNE-UHFFFAOYSA-N
XLogP1.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide (CID 45248149) is N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide is CC1(C)Cc2nc(N3CCOCC3)ncc2C(NC(=O)C2CC2)C1.
What is the InChIKey of N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide?
The InChIKey is BFLNPXOKBSRRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2)9-14(20-16(23)12-3-4-12)13-11-19-17(21-15(13)10-18)22-5-7-24-8-6-22/h11-12,14H,3-10H2,1-2H3,(H,20,23).
What are the key properties of N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide?
N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 45248149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).