N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide

C27H25N3O3 — CID 50762632

IUPACN-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
SMILESCc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)NC3CC3)cc2)c(=O)c2ccccc21
InChIInChI=1S/C27H25N3O3/c1-18-6-2-3-7-20(18)17-29-24-9-5-4-8-23(24)26(32)30(27(29)33)22-14-10-19(11-15-22)16-25(31)28-21-12-13-21/h2-11,14-15,21H,12-13,16-17H2,1H3,(H,28,31)
InChIKeyGVKNXHPUNNKDJA-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.33
Rot. Bonds6

About N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide

N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide (PubChem CID 50762632) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
PubChem CID50762632
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
SMILESCc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)NC3CC3)cc2)c(=O)c2ccccc21
InChIInChI=1S/C27H25N3O3/c1-18-6-2-3-7-20(18)17-29-24-9-5-4-8-23(24)26(32)30(27(29)33)22-14-10-19(11-15-22)16-25(31)28-21-12-13-21/h2-11,14-15,21H,12-13,16-17H2,1H3,(H,28,31)
InChIKeyGVKNXHPUNNKDJA-UHFFFAOYSA-N
XLogP3.33
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide (CID 50762632) is N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide is Cc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)NC3CC3)cc2)c(=O)c2ccccc21.
What is the InChIKey of N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
The InChIKey is GVKNXHPUNNKDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-18-6-2-3-7-20(18)17-29-24-9-5-4-8-23(24)26(32)30(27(29)33)22-14-10-19(11-15-22)16-25(31)28-21-12-13-21/h2-11,14-15,21H,12-13,16-17H2,1H3,(H,28,31).
What are the key properties of N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide is sourced from PubChem (CID 50762632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).