4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide

C22H15ClF3N5O3 — CID 71695266

IUPAC4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Nc2ccc3[nH]c(=O)n(-c4ccc(Cl)c(C(F)(F)F)c4)c(=O)c3c2)ccn1
InChIInChI=1S/C22H15ClF3N5O3/c1-27-19(32)18-9-12(6-7-28-18)29-11-2-5-17-14(8-11)20(33)31(21(34)30-17)13-3-4-16(23)15(10-13)22(24,25)26/h2-10H,1H3,(H,27,32)(H,28,29)(H,30,34)
InChIKeyUZUIQKJXIZKUNF-UHFFFAOYSA-N
MW489.84 g/mol
LogP3.85
Rot. Bonds4

About 4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide

4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 71695266) has the molecular formula C22H15ClF3N5O3 and a molecular weight of 489.84 g/mol. Its IUPAC name is 4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide
PubChem CID71695266
Molecular FormulaC22H15ClF3N5O3
Molecular Weight489.84 g/mol
Exact Mass489.08
IUPAC Name4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Nc2ccc3[nH]c(=O)n(-c4ccc(Cl)c(C(F)(F)F)c4)c(=O)c3c2)ccn1
InChIInChI=1S/C22H15ClF3N5O3/c1-27-19(32)18-9-12(6-7-28-18)29-11-2-5-17-14(8-11)20(33)31(21(34)30-17)13-3-4-16(23)15(10-13)22(24,25)26/h2-10H,1H3,(H,27,32)(H,28,29)(H,30,34)
InChIKeyUZUIQKJXIZKUNF-UHFFFAOYSA-N
XLogP3.85
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.84
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide
CID 25128735
4-[[2-[4-chloro-3-(1,1-difluoroethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 142815596
4-[4-[[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 68784559
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxamide;methane
CID 160554517
N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109220837
butanedioic acid;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 44598971
4-[4-bromo-5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]thiophen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 71569618
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;ethane;ethenylphosphane
CID 143776464
4-[3-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11306141
4-[4-[[4-chloro-3-(trifluoromethyl)anilino]methylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 161220233
4-[4-[[4-chloro-3-(trifluoromethyl)anilino]methylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;hydrate
CID 161220232
N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109218783

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide (CID 71695266) is 4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Nc2ccc3[nH]c(=O)n(-c4ccc(Cl)c(C(F)(F)F)c4)c(=O)c3c2)ccn1.
What is the InChIKey of 4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is UZUIQKJXIZKUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N5O3/c1-27-19(32)18-9-12(6-7-28-18)29-11-2-5-17-14(8-11)20(33)31(21(34)30-17)13-3-4-16(23)15(10-13)22(24,25)26/h2-10H,1H3,(H,27,32)(H,28,29)(H,30,34).
What are the key properties of 4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide?
4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 489.84 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-quinazolin-6-yl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 71695266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).