4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine

C24H21F2N5 — CID 170641482

IUPAC4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine
SMILESNc1cc(-c2ccc3ncnc(N4CCC(c5ccc(F)cc5F)CC4)c3c2)ccn1
InChIInChI=1S/C24H21F2N5/c25-18-2-3-19(21(26)13-18)15-6-9-31(10-7-15)24-20-11-16(1-4-22(20)29-14-30-24)17-5-8-28-23(27)12-17/h1-5,8,11-15H,6-7,9-10H2,(H2,27,28)
InChIKeyWKBBKOFDFWANNY-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.94
Rot. Bonds3

About 4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine

4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine (PubChem CID 170641482) has the molecular formula C24H21F2N5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine
PubChem CID170641482
Molecular FormulaC24H21F2N5
Molecular Weight417.46 g/mol
Exact Mass417.18
IUPAC Name4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine
SMILESNc1cc(-c2ccc3ncnc(N4CCC(c5ccc(F)cc5F)CC4)c3c2)ccn1
InChIInChI=1S/C24H21F2N5/c25-18-2-3-19(21(26)13-18)15-6-9-31(10-7-15)24-20-11-16(1-4-22(20)29-14-30-24)17-5-8-28-23(27)12-17/h1-5,8,11-15H,6-7,9-10H2,(H2,27,28)
InChIKeyWKBBKOFDFWANNY-UHFFFAOYSA-N
XLogP4.94
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine
CID 170641489
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300706
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434
4-[4-(3-fluoro-5-morpholin-4-ylphenyl)quinazolin-6-yl]pyridin-2-amine
CID 170641216
5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine
CID 133429304
N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 25144672
N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74396037
6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline
CID 170641448
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine?
The IUPAC name of 4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine (CID 170641482) is 4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine is Nc1cc(-c2ccc3ncnc(N4CCC(c5ccc(F)cc5F)CC4)c3c2)ccn1.
What is the InChIKey of 4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine?
The InChIKey is WKBBKOFDFWANNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5/c25-18-2-3-19(21(26)13-18)15-6-9-31(10-7-15)24-20-11-16(1-4-22(20)29-14-30-24)17-5-8-28-23(27)12-17/h1-5,8,11-15H,6-7,9-10H2,(H2,27,28).
What are the key properties of 4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine?
4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine has a molecular weight of 417.46 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine is sourced from PubChem (CID 170641482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).