(6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

C26H19F2N3 — CID 90768522

IUPAC(6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESC=Cc1cc(Nc2ncc3c(n2)-c2ccccc2[C@H](c2ccccc2F)C3)ccc1F
InChIInChI=1S/C26H19F2N3/c1-2-16-13-18(11-12-23(16)27)30-26-29-15-17-14-22(20-8-5-6-10-24(20)28)19-7-3-4-9-21(19)25(17)31-26/h2-13,15,22H,1,14H2,(H,29,30,31)/t22-/m1/s1
InChIKeyHKSQWFRONYRRSP-JOCHJYFZSA-N
MW411.46 g/mol
LogP6.50
Rot. Bonds4

About (6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

(6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 90768522) has the molecular formula C26H19F2N3 and a molecular weight of 411.46 g/mol. Its IUPAC name is (6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name(6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID90768522
Molecular FormulaC26H19F2N3
Molecular Weight411.46 g/mol
Exact Mass411.15
IUPAC Name(6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESC=Cc1cc(Nc2ncc3c(n2)-c2ccccc2[C@H](c2ccccc2F)C3)ccc1F
InChIInChI=1S/C26H19F2N3/c1-2-16-13-18(11-12-23(16)27)30-26-29-15-17-14-22(20-8-5-6-10-24(20)28)19-7-3-4-9-21(19)25(17)31-26/h2-13,15,22H,1,14H2,(H,29,30,31)/t22-/m1/s1
InChIKeyHKSQWFRONYRRSP-JOCHJYFZSA-N
XLogP6.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine with MolForge

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Related Compounds

[3-[[6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]amino]phenyl]methyl methanesulfonate
CID 87395572
(6R)-N-[3-[2-[butyl(methyl)amino]ethyl]phenyl]-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 46834393
(6R)-6-(2-fluorophenyl)-N-[4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;hydrochloride
CID 67541594
2-[4-[[(6R)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]amino]phenyl]ethyl methanesulfonate
CID 59489613
(6R)-6-(2-fluorophenyl)-N-[3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59489803
N-[3-[2-[butyl(methyl)amino]ethyl]phenyl]-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;hydrochloride
CID 67426923
6-(2-fluorophenyl)-N-[4-(4-pentylpiperazin-1-yl)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 91012161
(6R)-6-(2-fluorophenyl)-N-[4-[2-(2-methoxyethylamino)ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;hydrochloride
CID 67541480
2-[4-[[6-(2,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]amino]phenyl]ethanol
CID 59490179
6-(3,4-difluorophenyl)-N-[4-[2-[ethyl(methyl)amino]ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 91478049
N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 157222458
6-(4-fluorophenyl)-N-[4-(2-piperidin-1-ylethyl)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59490136

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of (6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 90768522) is (6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for (6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for (6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine is C=Cc1cc(Nc2ncc3c(n2)-c2ccccc2[C@H](c2ccccc2F)C3)ccc1F.
What is the InChIKey of (6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is HKSQWFRONYRRSP-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H19F2N3/c1-2-16-13-18(11-12-23(16)27)30-26-29-15-17-14-22(20-8-5-6-10-24(20)28)19-7-3-4-9-21(19)25(17)31-26/h2-13,15,22H,1,14H2,(H,29,30,31)/t22-/m1/s1.
What are the key properties of (6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
(6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 411.46 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 90768522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).