4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine

C21H14ClF3N4 — CID 156755708

IUPAC4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine
SMILESFc1ccc(CNc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)cc1F
InChIInChI=1S/C21H14ClF3N4/c22-16-9-14(2-5-17(16)23)29-21-15-8-13(3-6-20(15)27-11-28-21)26-10-12-1-4-18(24)19(25)7-12/h1-9,11,26H,10H2,(H,27,28,29)
InChIKeyJUUWLDIJPCPMCZ-UHFFFAOYSA-N
MW414.82 g/mol
LogP6.06
Rot. Bonds5

About 4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine

4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine (PubChem CID 156755708) has the molecular formula C21H14ClF3N4 and a molecular weight of 414.82 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine
PubChem CID156755708
Molecular FormulaC21H14ClF3N4
Molecular Weight414.82 g/mol
Exact Mass414.09
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine
SMILESFc1ccc(CNc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)cc1F
InChIInChI=1S/C21H14ClF3N4/c22-16-9-14(2-5-17(16)23)29-21-15-8-13(3-6-20(15)27-11-28-21)26-10-12-1-4-18(24)19(25)7-12/h1-9,11,26H,10H2,(H,27,28,29)
InChIKeyJUUWLDIJPCPMCZ-UHFFFAOYSA-N
XLogP6.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.82
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine with MolForge

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Related Compounds

Spautin-1
CID 51037431
N-(4-((4,5-dichloro-2-fluorophenyl)amino)quinazolin-6-yl)acrylamide
CID 10362209
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
AV-412 free base
CID 9806229
N-Benzylquinazolin-4-amine
CID 616573
N-(4-(3-Chloro-4-fluorophenylamino)quinazolin-6-yl)acrylamide
CID 9974694
4-(3-Chloroanilino)quinazoline
CID 128872
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
4-Anilinoquinazoline
CID 324081
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
Tcmdc-123784
CID 5081716
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine (CID 156755708) is 4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine is Fc1ccc(CNc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)cc1F.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine?
The InChIKey is JUUWLDIJPCPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4/c22-16-9-14(2-5-17(16)23)29-21-15-8-13(3-6-20(15)27-11-28-21)26-10-12-1-4-18(24)19(25)7-12/h1-9,11,26H,10H2,(H,27,28,29).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine?
4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine has a molecular weight of 414.82 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine is sourced from PubChem (CID 156755708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).