(3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide

C21H22N4O5 — CID 97265371

IUPAC(3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCn1cnc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2c1=O
InChIInChI=1S/C21H22N4O5/c1-29-8-6-24-13-22-18-5-4-15(10-17(18)21(24)28)23-20(27)14-9-19(26)25(11-14)12-16-3-2-7-30-16/h2-5,7,10,13-14H,6,8-9,11-12H2,1H3,(H,23,27)/t14-/m0/s1
InChIKeySUCSYOHSECVKOJ-AWEZNQCLSA-N
MW410.43 g/mol
LogP1.62
Rot. Bonds7

About (3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97265371) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is (3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97265371
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name(3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCn1cnc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2c1=O
InChIInChI=1S/C21H22N4O5/c1-29-8-6-24-13-22-18-5-4-15(10-17(18)21(24)28)23-20(27)14-9-19(26)25(11-14)12-16-3-2-7-30-16/h2-5,7,10,13-14H,6,8-9,11-12H2,1H3,(H,23,27)/t14-/m0/s1
InChIKeySUCSYOHSECVKOJ-AWEZNQCLSA-N
XLogP1.62
TPSA106.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
1-(furan-2-ylmethyl)-5-oxo-N-(4-pyrimidin-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55920995
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
(3S)-N-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9095963
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
CID 162429400
N-(2-tert-butyl-3H-benzimidazol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 53369047
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51241967

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide (CID 97265371) is (3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide is COCCn1cnc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2c1=O.
What is the InChIKey of (3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SUCSYOHSECVKOJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-29-8-6-24-13-22-18-5-4-15(10-17(18)21(24)28)23-20(27)14-9-19(26)25(11-14)12-16-3-2-7-30-16/h2-5,7,10,13-14H,6,8-9,11-12H2,1H3,(H,23,27)/t14-/m0/s1.
What are the key properties of (3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97265371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).