N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine

C24H22F2N6 — CID 46182814

IUPACN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1
InChIInChI=1S/C24H22F2N6/c25-17-6-2-7-18(26)22(17)24-29-12-15-4-1-8-19(23(15)31-24)30-20-13-28-10-9-21(20)32-11-3-5-16(27)14-32/h1-2,4,6-10,12-13,16,30H,3,5,11,14,27H2/t16-/m0/s1
InChIKeyBMYXNSDMYMRNAW-INIZCTEOSA-N
MW432.48 g/mol
LogP4.64
Rot. Bonds4

About N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine (PubChem CID 46182814) has the molecular formula C24H22F2N6 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine
PubChem CID46182814
Molecular FormulaC24H22F2N6
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1
InChIInChI=1S/C24H22F2N6/c25-17-6-2-7-18(26)22(17)24-29-12-15-4-1-8-19(23(15)31-24)30-20-13-28-10-9-21(20)32-11-3-5-16(27)14-32/h1-2,4,6-10,12-13,16,30H,3,5,11,14,27H2/t16-/m0/s1
InChIKeyBMYXNSDMYMRNAW-INIZCTEOSA-N
XLogP4.64
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine?
The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine (CID 46182814) is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine.
What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine?
The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine is N[C@H]1CCCN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1.
What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine?
The InChIKey is BMYXNSDMYMRNAW-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22F2N6/c25-17-6-2-7-18(26)22(17)24-29-12-15-4-1-8-19(23(15)31-24)30-20-13-28-10-9-21(20)32-11-3-5-16(27)14-32/h1-2,4,6-10,12-13,16,30H,3,5,11,14,27H2/t16-/m0/s1.
What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine?
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine has a molecular weight of 432.48 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine is sourced from PubChem (CID 46182814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).