N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide

C20H30N4O2 — CID 110237920

IUPACN-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide
SMILESCC1(C)Cc2nc(N3CCCC3)ncc2C(NC(=O)C2CCOCC2)C1
InChIInChI=1S/C20H30N4O2/c1-20(2)11-16(22-18(25)14-5-9-26-10-6-14)15-13-21-19(23-17(15)12-20)24-7-3-4-8-24/h13-14,16H,3-12H2,1-2H3,(H,22,25)
InChIKeyRBBMDNRADBXQLG-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.63
Rot. Bonds3

About N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide

N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide (PubChem CID 110237920) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide
PubChem CID110237920
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide
SMILESCC1(C)Cc2nc(N3CCCC3)ncc2C(NC(=O)C2CCOCC2)C1
InChIInChI=1S/C20H30N4O2/c1-20(2)11-16(22-18(25)14-5-9-26-10-6-14)15-13-21-19(23-17(15)12-20)24-7-3-4-8-24/h13-14,16H,3-12H2,1-2H3,(H,22,25)
InChIKeyRBBMDNRADBXQLG-UHFFFAOYSA-N
XLogP2.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide with MolForge

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Related Compounds

N~1~-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl)-N~2~,N~2~-dimethylglycinamide
CID 45202946
N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]cyclopropanecarboxamide
CID 45230277
N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl)-4-(dimethylamino)butanamide
CID 45245336
N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)-2-(methylamino)acetamide
CID 72857480
2-amino-N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72868715
1-amino-N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl)cyclopropanecarboxamide hydrochloride
CID 72906674
2-methyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 110237938
N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide
CID 110237940
2-cyclohexyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 110237941
2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
CID 110237945
N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 110237950
N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 110237962

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide?
The IUPAC name of N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide (CID 110237920) is N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide?
The canonical SMILES for N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide is CC1(C)Cc2nc(N3CCCC3)ncc2C(NC(=O)C2CCOCC2)C1.
What is the InChIKey of N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide?
The InChIKey is RBBMDNRADBXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-20(2)11-16(22-18(25)14-5-9-26-10-6-14)15-13-21-19(23-17(15)12-20)24-7-3-4-8-24/h13-14,16H,3-12H2,1-2H3,(H,22,25).
What are the key properties of N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide?
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.63, 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-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 110237920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).