N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide

C20H23N3O3 — CID 124829810

IUPACN-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1
InChIInChI=1S/C20H23N3O3/c1-12-10-14(12)16-8-9-17(26-16)19-22(3)20(25)13-6-4-5-7-15(13)23(19)11-18(24)21-2/h4-9,12,14,19H,10-11H2,1-3H3,(H,21,24)/t12-,14-,19-/m0/s1
InChIKeyPHSLDXLQWLGPJP-PJFSTRORSA-N
MW353.42 g/mol
LogP2.74
Rot. Bonds4

About N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide

N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide (PubChem CID 124829810) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide
PubChem CID124829810
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1
InChIInChI=1S/C20H23N3O3/c1-12-10-14(12)16-8-9-17(26-16)19-22(3)20(25)13-6-4-5-7-15(13)23(19)11-18(24)21-2/h4-9,12,14,19H,10-11H2,1-3H3,(H,21,24)/t12-,14-,19-/m0/s1
InChIKeyPHSLDXLQWLGPJP-PJFSTRORSA-N
XLogP2.74
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide (CID 124829810) is N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide is CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1.
What is the InChIKey of N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide?
The InChIKey is PHSLDXLQWLGPJP-PJFSTRORSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-10-14(12)16-8-9-17(26-16)19-22(3)20(25)13-6-4-5-7-15(13)23(19)11-18(24)21-2/h4-9,12,14,19H,10-11H2,1-3H3,(H,21,24)/t12-,14-,19-/m0/s1.
What are the key properties of N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide?
N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide is sourced from PubChem (CID 124829810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).