N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

C21H23N3O3 — CID 52536147

IUPACN-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1
InChIInChI=1S/C21H23N3O3/c1-13-10-17(13)19-9-8-15(27-19)11-23(3)20(25)12-24-14(2)22-18-7-5-4-6-16(18)21(24)26/h4-9,13,17H,10-12H2,1-3H3/t13-,17-/m1/s1
InChIKeyDQQDYRYRIOXPRA-CXAGYDPISA-N
MW365.43 g/mol
LogP3.08
Rot. Bonds5

About N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 52536147) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID52536147
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1
InChIInChI=1S/C21H23N3O3/c1-13-10-17(13)19-9-8-15(27-19)11-23(3)20(25)12-24-14(2)22-18-7-5-4-6-16(18)21(24)26/h4-9,13,17H,10-12H2,1-3H3/t13-,17-/m1/s1
InChIKeyDQQDYRYRIOXPRA-CXAGYDPISA-N
XLogP3.08
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 52536147) is N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1nc2ccccc2c(=O)n1CC(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1.
What is the InChIKey of N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is DQQDYRYRIOXPRA-CXAGYDPISA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-10-17(13)19-9-8-15(27-19)11-23(3)20(25)12-24-14(2)22-18-7-5-4-6-16(18)21(24)26/h4-9,13,17H,10-12H2,1-3H3/t13-,17-/m1/s1.
What are the key properties of N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 52536147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).