6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine

C25H34ClN7O — CID 162747854

IUPAC6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine
SMILESCCCn1ncc(Nc2ncc3cc(Cl)c(N4CCN(C5COC(C)(C)C5)CC4)cc3n2)c1C
InChIInChI=1S/C25H34ClN7O/c1-5-6-33-17(2)22(15-28-33)30-24-27-14-18-11-20(26)23(12-21(18)29-24)32-9-7-31(8-10-32)19-13-25(3,4)34-16-19/h11-12,14-15,19H,5-10,13,16H2,1-4H3,(H,27,29,30)
InChIKeyADOHFSBDVGAUQX-UHFFFAOYSA-N
MW484.05 g/mol
LogP4.63
Rot. Bonds6

About 6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine

6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine (PubChem CID 162747854) has the molecular formula C25H34ClN7O and a molecular weight of 484.05 g/mol. Its IUPAC name is 6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine
PubChem CID162747854
Molecular FormulaC25H34ClN7O
Molecular Weight484.05 g/mol
Exact Mass483.25
IUPAC Name6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine
SMILESCCCn1ncc(Nc2ncc3cc(Cl)c(N4CCN(C5COC(C)(C)C5)CC4)cc3n2)c1C
InChIInChI=1S/C25H34ClN7O/c1-5-6-33-17(2)22(15-28-33)30-24-27-14-18-11-20(26)23(12-21(18)29-24)32-9-7-31(8-10-32)19-13-25(3,4)34-16-19/h11-12,14-15,19H,5-10,13,16H2,1-4H3,(H,27,29,30)
InChIKeyADOHFSBDVGAUQX-UHFFFAOYSA-N
XLogP4.63
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.05
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-N-(5-methyl-1-propylpyrazol-4-yl)-7-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 156730602
(3R)-4-methyl-4-[4-[6-methyl-2-[(5-methyl-1-propylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 156730635
1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol
CID 175940412
N-(1-tert-butyl-5-chloropyrazol-4-yl)-6-chloro-7-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine
CID 162748192
1-[4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 162748253
N-(1-ethyl-5-methylpyrazol-4-yl)-6,7-dimethylquinazolin-2-amine
CID 156730609
(4R)-4-[4-[6-chloro-2-[[1-cyclopropyl-5-(difluoromethyl)pyrazol-4-yl]amino]quinazolin-7-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 162748023
6-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7-[4-(3-methyloxetan-3-yl)piperazin-1-yl]quinazolin-2-amine
CID 162748164
tert-butyl 4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperazine-1-carboxylate
CID 162747982
6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine
CID 162747856
(3R)-4-[4-[2-[[1-(1-bicyclo[1.1.1]pentanyl)-5-methylpyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 167326481
1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol
CID 170238745

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine?
The IUPAC name of 6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine (CID 162747854) is 6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine.
What is the SMILES notation for 6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine?
The canonical SMILES for 6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine is CCCn1ncc(Nc2ncc3cc(Cl)c(N4CCN(C5COC(C)(C)C5)CC4)cc3n2)c1C.
What is the InChIKey of 6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine?
The InChIKey is ADOHFSBDVGAUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN7O/c1-5-6-33-17(2)22(15-28-33)30-24-27-14-18-11-20(26)23(12-21(18)29-24)32-9-7-31(8-10-32)19-13-25(3,4)34-16-19/h11-12,14-15,19H,5-10,13,16H2,1-4H3,(H,27,29,30).
What are the key properties of 6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine?
6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine has a molecular weight of 484.05 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine is sourced from PubChem (CID 162747854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).