N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

C26H32N4O3 — CID 43044912

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCOc1ccccc1C(CNC(=O)CCCn1cnc2c(C)cccc2c1=O)N1CCCC1
InChIInChI=1S/C26H32N4O3/c1-19-9-7-11-21-25(19)28-18-30(26(21)32)16-8-13-24(31)27-17-22(29-14-5-6-15-29)20-10-3-4-12-23(20)33-2/h3-4,7,9-12,18,22H,5-6,8,13-17H2,1-2H3,(H,27,31)
InChIKeyAUBZPNBCGKURAS-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.45
Rot. Bonds9

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (PubChem CID 43044912) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
PubChem CID43044912
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCOc1ccccc1C(CNC(=O)CCCn1cnc2c(C)cccc2c1=O)N1CCCC1
InChIInChI=1S/C26H32N4O3/c1-19-9-7-11-21-25(19)28-18-30(26(21)32)16-8-13-24(31)27-17-22(29-14-5-6-15-29)20-10-3-4-12-23(20)33-2/h3-4,7,9-12,18,22H,5-6,8,13-17H2,1-2H3,(H,27,31)
InChIKeyAUBZPNBCGKURAS-UHFFFAOYSA-N
XLogP3.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 24647066
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9400351
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 43044903
2-(2-methoxyphenoxy)-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506458
N-[(2,5-dimethoxyphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 33104099
diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate
CID 33254183
4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide
CID 17392331
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 47015246
3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one
CID 18132606
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (CID 43044912) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is COc1ccccc1C(CNC(=O)CCCn1cnc2c(C)cccc2c1=O)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The InChIKey is AUBZPNBCGKURAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19-9-7-11-21-25(19)28-18-30(26(21)32)16-8-13-24(31)27-17-22(29-14-5-6-15-29)20-10-3-4-12-23(20)33-2/h3-4,7,9-12,18,22H,5-6,8,13-17H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide has a molecular weight of 448.57 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 43044912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).