N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide

C19H19N5O4 — CID 166371018

IUPACN-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide
SMILESCN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C19H19N5O4/c1-24(2)9-12-4-3-10(16(20)25)8-15(12)21-17(26)11-5-6-14-13(7-11)18(27)23-19(28)22-14/h3-8H,9H2,1-2H3,(H2,20,25)(H,21,26)(H2,22,23,27,28)
InChIKeyHNLJNMOFVMVFHG-UHFFFAOYSA-N
MW381.39 g/mol
LogP0.63
Rot. Bonds5

About N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide

N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide (PubChem CID 166371018) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide
PubChem CID166371018
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide
SMILESCN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C19H19N5O4/c1-24(2)9-12-4-3-10(16(20)25)8-15(12)21-17(26)11-5-6-14-13(7-11)18(27)23-19(28)22-14/h3-8H,9H2,1-2H3,(H2,20,25)(H,21,26)(H2,22,23,27,28)
InChIKeyHNLJNMOFVMVFHG-UHFFFAOYSA-N
XLogP0.63
TPSA141.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide
CID 167788110
4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide
CID 167839946
4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide
CID 167902428
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide
CID 102067422
4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 56806765
3-amino-4-bromo-N-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 107812862
3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide
CID 71967989
N-[2-[(dimethylamino)methyl]phenyl]-3-hydroxybenzamide
CID 110472375
N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 31969058
methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate
CID 67175600
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285

Frequently Asked Questions

What is the IUPAC name of N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide?
The IUPAC name of N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide (CID 166371018) is N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide.
What is the SMILES notation for N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide?
The canonical SMILES for N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide is CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide?
The InChIKey is HNLJNMOFVMVFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-24(2)9-12-4-3-10(16(20)25)8-15(12)21-17(26)11-5-6-14-13(7-11)18(27)23-19(28)22-14/h3-8H,9H2,1-2H3,(H2,20,25)(H,21,26)(H2,22,23,27,28).
What are the key properties of N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide?
N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 0.63, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide is sourced from PubChem (CID 166371018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).