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

C21H32N4O2 — CID 45221847

IUPACN-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide
SMILESCC1(C)Cc2nc(N3CCOCC3)ncc2C(NC(=O)C2CCCCC2)C1
InChIInChI=1S/C21H32N4O2/c1-21(2)12-17(23-19(26)15-6-4-3-5-7-15)16-14-22-20(24-18(16)13-21)25-8-10-27-11-9-25/h14-15,17H,3-13H2,1-2H3,(H,23,26)
InChIKeyAJTDPQFSMFGKCF-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.02
Rot. Bonds3

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

N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide (PubChem CID 45221847) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide
PubChem CID45221847
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide
SMILESCC1(C)Cc2nc(N3CCOCC3)ncc2C(NC(=O)C2CCCCC2)C1
InChIInChI=1S/C21H32N4O2/c1-21(2)12-17(23-19(26)15-6-4-3-5-7-15)16-14-22-20(24-18(16)13-21)25-8-10-27-11-9-25/h14-15,17H,3-13H2,1-2H3,(H,23,26)
InChIKeyAJTDPQFSMFGKCF-UHFFFAOYSA-N
XLogP3.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide (CID 45221847) is N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide is CC1(C)Cc2nc(N3CCOCC3)ncc2C(NC(=O)C2CCCCC2)C1.
What is the InChIKey of N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide?
The InChIKey is AJTDPQFSMFGKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-21(2)12-17(23-19(26)15-6-4-3-5-7-15)16-14-22-20(24-18(16)13-21)25-8-10-27-11-9-25/h14-15,17H,3-13H2,1-2H3,(H,23,26).
What are the key properties of N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide?
N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.02, 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)cyclohexanecarboxamide is sourced from PubChem (CID 45221847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).