4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide

C20H21N5O3 — CID 137287776

IUPAC4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C20H21N5O3/c1-12(2)25(19(27)13-7-9-14(10-8-13)22-20(21)28)11-17-23-16-6-4-3-5-15(16)18(26)24-17/h3-10,12H,11H2,1-2H3,(H3,21,22,28)(H,23,24,26)
InChIKeyCSDGNGJMUSGZBF-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.46
Rot. Bonds5

About 4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide

4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 137287776) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID137287776
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C20H21N5O3/c1-12(2)25(19(27)13-7-9-14(10-8-13)22-20(21)28)11-17-23-16-6-4-3-5-15(16)18(26)24-17/h3-10,12H,11H2,1-2H3,(H3,21,22,28)(H,23,24,26)
InChIKeyCSDGNGJMUSGZBF-UHFFFAOYSA-N
XLogP2.46
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962244
4-(methoxymethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137294556
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylfuran-3-carboxamide
CID 137316111
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 137296684
3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135722195
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-propan-2-yloxypyridine-3-carboxamide
CID 135973705
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(pyrazol-1-ylmethyl)benzamide
CID 137309163
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137305204
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 135956689
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962295
3-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-pyrrolidin-1-ylbenzamide
CID 135962139

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide (CID 137287776) is 4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide is CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is CSDGNGJMUSGZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12(2)25(19(27)13-7-9-14(10-8-13)22-20(21)28)11-17-23-16-6-4-3-5-15(16)18(26)24-17/h3-10,12H,11H2,1-2H3,(H3,21,22,28)(H,23,24,26).
What are the key properties of 4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide?
4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 379.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 137287776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).