N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine

C22H30FN3O2 — CID 58082433

IUPACN-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine
SMILESFCCCC1CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1
InChIInChI=1S/C22H30FN3O2/c23-12-2-3-16-6-8-18(9-7-16)25-22-24-15-17-4-1-5-20(21(17)26-22)28-19-10-13-27-14-11-19/h1,4-5,15-16,18-19H,2-3,6-14H2,(H,24,25,26)
InChIKeyZBVPMZKOHBYNAN-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.91
Rot. Bonds7

About N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine

N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine (PubChem CID 58082433) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine
PubChem CID58082433
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC NameN-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine
SMILESFCCCC1CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1
InChIInChI=1S/C22H30FN3O2/c23-12-2-3-16-6-8-18(9-7-16)25-22-24-15-17-4-1-5-20(21(17)26-22)28-19-10-13-27-14-11-19/h1,4-5,15-16,18-19H,2-3,6-14H2,(H,24,25,26)
InChIKeyZBVPMZKOHBYNAN-UHFFFAOYSA-N
XLogP4.91
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinazolin-2-amine
CID 10068521
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10316876
4-(2-Azanyl-8-methoxy-quinazolin-6-yl)phenol
CID 162423120
8-(3-Dimethylaminopropoxy)-2-[(2-methylphenyl)amino]-4-(N-methylphenylamino)quinazoline
CID 10003444
8-(3-Dimethylamino-propoxy)-N*2*-(4-fluoro-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-quinazoline-2,4-diamine
CID 10072913
2-(2-Methyl-4-fluorophenylamino)-4-(N-methylphenylamino)-8-(3-morpholinopropoxy)quinazoline
CID 11755761
2,4-Diamino-5-(1,2,3,4-tetrahydro-8-(2-methoxyethoxy)-6-quinolylmethyl)pyrimidine
CID 23323034
5-{[8-(2-Methoxyethoxy)quinolin-6-yl]methyl}pyrimidine-2,4-diamine
CID 23323073
1-[6-[(3-Fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea
CID 122195826
6-(6-Methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazolin-2-amine
CID 145951752
6-(5-Fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazolin-2-amine
CID 145955956
N-benzyl-8-methoxyquinazolin-4-amine
CID 5328035

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine?
The IUPAC name of N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine (CID 58082433) is N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine.
What is the SMILES notation for N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine?
The canonical SMILES for N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine is FCCCC1CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1.
What is the InChIKey of N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine?
The InChIKey is ZBVPMZKOHBYNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c23-12-2-3-16-6-8-18(9-7-16)25-22-24-15-17-4-1-5-20(21(17)26-22)28-19-10-13-27-14-11-19/h1,4-5,15-16,18-19H,2-3,6-14H2,(H,24,25,26).
What are the key properties of N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine?
N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine has a molecular weight of 387.50 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine is sourced from PubChem (CID 58082433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).