N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide

C23H30N4O2 — CID 110237895

IUPACN-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2CC(C)(C)Cc3nc(N4CCCC4)ncc32)c1
InChIInChI=1S/C23H30N4O2/c1-23(2)13-19(25-21(28)12-16-7-6-8-17(11-16)29-3)18-15-24-22(26-20(18)14-23)27-9-4-5-10-27/h6-8,11,15,19H,4-5,9-10,12-14H2,1-3H3,(H,25,28)
InChIKeyDAKBKOAKSAQPRZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.46
Rot. Bonds5

About N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide

N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 110237895) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID110237895
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2CC(C)(C)Cc3nc(N4CCCC4)ncc32)c1
InChIInChI=1S/C23H30N4O2/c1-23(2)13-19(25-21(28)12-16-7-6-8-17(11-16)29-3)18-15-24-22(26-20(18)14-23)27-9-4-5-10-27/h6-8,11,15,19H,4-5,9-10,12-14H2,1-3H3,(H,25,28)
InChIKeyDAKBKOAKSAQPRZ-UHFFFAOYSA-N
XLogP3.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110237898
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide
CID 25298905
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide
CID 110237920
N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 95855701
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110237907
3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 110237958
N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide
CID 110237861
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide
CID 42302158
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide
CID 97117496
2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53167952
N-[(3-methoxyphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107209

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide (CID 110237895) is N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC2CC(C)(C)Cc3nc(N4CCCC4)ncc32)c1.
What is the InChIKey of N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is DAKBKOAKSAQPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-23(2)13-19(25-21(28)12-16-7-6-8-17(11-16)29-3)18-15-24-22(26-20(18)14-23)27-9-4-5-10-27/h6-8,11,15,19H,4-5,9-10,12-14H2,1-3H3,(H,25,28).
What are the key properties of N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide?
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.46, 5 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)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 110237895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).