N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine

C24H26FN5O — CID 67102145

IUPACN-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine
SMILESFc1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1C1=CCNCC1
InChIInChI=1S/C24H26FN5O/c25-21-5-4-18(14-20(21)16-6-10-26-11-7-16)29-24-28-15-17-2-1-3-22(23(17)30-24)31-19-8-12-27-13-9-19/h1-6,14-15,19,26-27H,7-13H2,(H,28,29,30)
InChIKeyPXZYYXBAKOANOD-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.02
Rot. Bonds5

About N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine

N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine (PubChem CID 67102145) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine.

Molecular Properties

Compound NameN-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine
PubChem CID67102145
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC NameN-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine
SMILESFc1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1C1=CCNCC1
InChIInChI=1S/C24H26FN5O/c25-21-5-4-18(14-20(21)16-6-10-26-11-7-16)29-24-28-15-17-2-1-3-22(23(17)30-24)31-19-8-12-27-13-9-19/h1-6,14-15,19,26-27H,7-13H2,(H,28,29,30)
InChIKeyPXZYYXBAKOANOD-UHFFFAOYSA-N
XLogP4.02
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine with MolForge

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Related Compounds

Zotiraciclib
CID 16739650
Vuf5574
CID 4046493
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
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16747960
n-Methyl-8-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16748211
6-[2-[4-(2-methylquinazolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10341129
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-quinazolin-6-yloxyphenyl)urea
CID 134294508
N-(3-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)pyrimidin-2-amine
CID 10288118
2-Methoxy-8-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 16748210
N-(4-fluoro-2-methylphenyl)-8-methoxy-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 21476448
7-[[5-(Methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine
CID 91971389

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine?
The IUPAC name of N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine (CID 67102145) is N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine.
What is the SMILES notation for N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine?
The canonical SMILES for N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine is Fc1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1C1=CCNCC1.
What is the InChIKey of N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine?
The InChIKey is PXZYYXBAKOANOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c25-21-5-4-18(14-20(21)16-6-10-26-11-7-16)29-24-28-15-17-2-1-3-22(23(17)30-24)31-19-8-12-27-13-9-19/h1-6,14-15,19,26-27H,7-13H2,(H,28,29,30).
What are the key properties of N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine?
N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine has a molecular weight of 419.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine is sourced from PubChem (CID 67102145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).