2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol

C26H26ClFN4O — CID 126531195

IUPAC2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
SMILESCC(C)C(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F
InChIInChI=1S/C26H26ClFN4O/c1-15(2)23(18-7-5-6-8-21(18)28)32-24-19-11-16(9-10-22(19)29-14-20(24)27)17-12-30-25(31-13-17)26(3,4)33/h5-15,23,33H,1-4H3,(H,29,32)
InChIKeySILTZDMWDNFMPQ-UHFFFAOYSA-N
MW464.97 g/mol
LogP6.52
Rot. Bonds6

About 2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol

2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol (PubChem CID 126531195) has the molecular formula C26H26ClFN4O and a molecular weight of 464.97 g/mol. Its IUPAC name is 2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
PubChem CID126531195
Molecular FormulaC26H26ClFN4O
Molecular Weight464.97 g/mol
Exact Mass464.18
IUPAC Name2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
SMILESCC(C)C(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F
InChIInChI=1S/C26H26ClFN4O/c1-15(2)23(18-7-5-6-8-21(18)28)32-24-19-11-16(9-10-22(19)29-14-20(24)27)17-12-30-25(31-13-17)26(3,4)33/h5-15,23,33H,1-4H3,(H,29,32)
InChIKeySILTZDMWDNFMPQ-UHFFFAOYSA-N
XLogP6.52
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

Aminoquinazoline, 18
CID 24863671
Vps34-IN-1
CID 57404276
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
CID 126531356
9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51351032
N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide
CID 164809124
6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine
CID 3233369
N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
CID 24737670
N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine
CID 24891646
N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
CID 24891701
N-[1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
CID 68486699
2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 117826049

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol (CID 126531195) is 2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol is CC(C)C(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F.
What is the InChIKey of 2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol?
The InChIKey is SILTZDMWDNFMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O/c1-15(2)23(18-7-5-6-8-21(18)28)32-24-19-11-16(9-10-22(19)29-14-20(24)27)17-12-30-25(31-13-17)26(3,4)33/h5-15,23,33H,1-4H3,(H,29,32).
What are the key properties of 2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol?
2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol has a molecular weight of 464.97 g/mol, XLogP of 6.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 126531195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).