6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline

C18H22F2N4O — CID 71996399

IUPAC6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline
SMILESFc1cc2ncnc(N3CCCN(C4CCOCC4)CC3)c2cc1F
InChIInChI=1S/C18H22F2N4O/c19-15-10-14-17(11-16(15)20)21-12-22-18(14)24-5-1-4-23(6-7-24)13-2-8-25-9-3-13/h10-13H,1-9H2
InChIKeyYVGCGDHMEBTVBD-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.60
Rot. Bonds2

About 6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline

6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline (PubChem CID 71996399) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is 6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline.

Molecular Properties

Compound Name6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline
PubChem CID71996399
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline
SMILESFc1cc2ncnc(N3CCCN(C4CCOCC4)CC3)c2cc1F
InChIInChI=1S/C18H22F2N4O/c19-15-10-14-17(11-16(15)20)21-12-22-18(14)24-5-1-4-23(6-7-24)13-2-8-25-9-3-13/h10-13H,1-9H2
InChIKeyYVGCGDHMEBTVBD-UHFFFAOYSA-N
XLogP2.60
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline with MolForge

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Related Compounds

4-(4-Methylpiperazin-1-yl)quinazoline
CID 21029584
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
1-N-(6,7-difluoroquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 121255054
4-(Azepan-1-yl)-2-(pyridin-2-yl)quinazoline
CID 665597
4-(4-Cyclopentylpiperazin-1-yl)quinazoline
CID 40011786
2-N-(4-fluorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
CID 137657146
4-(4-Benzylpiperazin-1-yl)quinazoline
CID 725408
4-(4-Piperidin-1-ylquinazolin-7-yl)morpholine
CID 53377567
4-(4-Pyrrolidin-1-ylquinazolin-7-yl)morpholine
CID 68243206
4-[4-(Azepan-1-yl)quinazolin-7-yl]morpholine
CID 68243208
6-[3-Fluoro-5-(1,4-oxazepan-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90016300
6-fluoro-N-[trans-4-(morpholin-4-yl)cyclohexyl]quinazolin-4-amine
CID 125494036

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline?
The IUPAC name of 6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline (CID 71996399) is 6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline.
What is the SMILES notation for 6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline?
The canonical SMILES for 6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline is Fc1cc2ncnc(N3CCCN(C4CCOCC4)CC3)c2cc1F.
What is the InChIKey of 6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline?
The InChIKey is YVGCGDHMEBTVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c19-15-10-14-17(11-16(15)20)21-12-22-18(14)24-5-1-4-23(6-7-24)13-2-8-25-9-3-13/h10-13H,1-9H2.
What are the key properties of 6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline?
6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline has a molecular weight of 348.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-4-[4-(oxan-4-yl)-1,4-diazepan-1-yl]quinazoline is sourced from PubChem (CID 71996399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).