6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane

C21H26Cl2N6O — CID 156730670

IUPAC6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane
SMILESC1CCOC1.Cn1ncc(Nc2ncc3cc(Cl)c(C4CCNCC4)cc3n2)c1Cl
InChIInChI=1S/C17H18Cl2N6.C4H8O/c1-25-16(19)15(9-22-25)24-17-21-8-11-6-13(18)12(7-14(11)23-17)10-2-4-20-5-3-10;1-2-4-5-3-1/h6-10,20H,2-5H2,1H3,(H,21,23,24);1-4H2
InChIKeyLEQALTLBFWIGRC-UHFFFAOYSA-N
MW449.39 g/mol
LogP4.68
Rot. Bonds3

About 6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane

6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane (PubChem CID 156730670) has the molecular formula C21H26Cl2N6O and a molecular weight of 449.39 g/mol. Its IUPAC name is 6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane.

Molecular Properties

Compound Name6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane
PubChem CID156730670
Molecular FormulaC21H26Cl2N6O
Molecular Weight449.39 g/mol
Exact Mass448.15
IUPAC Name6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane
SMILESC1CCOC1.Cn1ncc(Nc2ncc3cc(Cl)c(C4CCNCC4)cc3n2)c1Cl
InChIInChI=1S/C17H18Cl2N6.C4H8O/c1-25-16(19)15(9-22-25)24-17-21-8-11-6-13(18)12(7-14(11)23-17)10-2-4-20-5-3-10;1-2-4-5-3-1/h6-10,20H,2-5H2,1H3,(H,21,23,24);1-4H2
InChIKeyLEQALTLBFWIGRC-UHFFFAOYSA-N
XLogP4.68
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane with MolForge

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Related Compounds

6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine
CID 156730691
6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine
CID 156730649
4-[4-[6-chloro-2-[(1,5-dimethylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 167326767
6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine
CID 156730745
6-chloro-N-(5-methyl-1-propylpyrazol-4-yl)-7-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 156730602
(3S,4S)-4-[4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 156730834
N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine
CID 175881515
CID 156730761
CID 156730761
6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane
CID 156730676
(3S,4S)-4-[4-[6-chloro-2-[(5-chloro-1H-pyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 156730652
(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
4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 156730575

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane?
The IUPAC name of 6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane (CID 156730670) is 6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane.
What is the SMILES notation for 6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane?
The canonical SMILES for 6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane is C1CCOC1.Cn1ncc(Nc2ncc3cc(Cl)c(C4CCNCC4)cc3n2)c1Cl.
What is the InChIKey of 6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane?
The InChIKey is LEQALTLBFWIGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N6.C4H8O/c1-25-16(19)15(9-22-25)24-17-21-8-11-6-13(18)12(7-14(11)23-17)10-2-4-20-5-3-10;1-2-4-5-3-1/h6-10,20H,2-5H2,1H3,(H,21,23,24);1-4H2.
What are the key properties of 6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane?
6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane has a molecular weight of 449.39 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane is sourced from PubChem (CID 156730670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).