N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide

C20H19F3N4O3 — CID 71001471

IUPACN-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1
InChIInChI=1S/C20H19F3N4O3/c1-29-10-2-9-24-19(28)13-3-8-16-17(11-13)25-12-26-18(16)27-14-4-6-15(7-5-14)30-20(21,22)23/h3-8,11-12H,2,9-10H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyOKENXGKGAUIGLM-UHFFFAOYSA-N
MW420.39 g/mol
LogP4.04
Rot. Bonds8

About N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide

N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide (PubChem CID 71001471) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
PubChem CID71001471
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC NameN-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1
InChIInChI=1S/C20H19F3N4O3/c1-29-10-2-9-24-19(28)13-3-8-16-17(11-13)25-12-26-18(16)27-14-4-6-15(7-5-14)30-20(21,22)23/h3-8,11-12H,2,9-10H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyOKENXGKGAUIGLM-UHFFFAOYSA-N
XLogP4.04
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-4-[5-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 42635274
N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
CID 141380017
4-[4-(trifluoromethoxy)anilino]quinazoline-7-carbaldehyde
CID 126745164
(5-propylazocan-1-yl)-[4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanone
CID 126745159
methyl 1-[4-(trifluoromethoxy)anilino]isoquinoline-6-carboxylate
CID 156565059
(3-hydroxypyrrolidin-1-yl)-[4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanone
CID 68627621
4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide
CID 165147958
4-(4-methoxybutylamino)quinazoline-7-carboxylic acid
CID 63263517
N-(2-hydroxyethyl)-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42633119
ethyl 1-[4-[4-(trifluoromethoxy)anilino]quinazoline-7-carbonyl]piperidine-3-carboxylate
CID 68628228
3-(ethylamino)-N-(3-methoxypropyl)-4-[C-methyl-N-[4-(trifluoromethoxy)phenyl]carbonimidoyl]benzamide
CID 138567596
N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide
CID 70810463

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide (CID 71001471) is N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide is COCCCNC(=O)c1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1.
What is the InChIKey of N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide?
The InChIKey is OKENXGKGAUIGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-29-10-2-9-24-19(28)13-3-8-16-17(11-13)25-12-26-18(16)27-14-4-6-15(7-5-14)30-20(21,22)23/h3-8,11-12H,2,9-10H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide?
N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide is sourced from PubChem (CID 71001471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).