6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane

C18H25ClN4O — CID 156730676

IUPAC6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane
SMILESCC1CCOC1.Nc1ncc2cc(Cl)c(C3CCNCC3)cc2n1
InChIInChI=1S/C13H15ClN4.C5H10O/c14-11-5-9-7-17-13(15)18-12(9)6-10(11)8-1-3-16-4-2-8;1-5-2-3-6-4-5/h5-8,16H,1-4H2,(H2,15,17,18);5H,2-4H2,1H3
InChIKeyKSNHSYWZFFSOOZ-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.38
Rot. Bonds1

About 6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane

6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane (PubChem CID 156730676) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane.

Molecular Properties

Compound Name6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane
PubChem CID156730676
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane
SMILESCC1CCOC1.Nc1ncc2cc(Cl)c(C3CCNCC3)cc2n1
InChIInChI=1S/C13H15ClN4.C5H10O/c14-11-5-9-7-17-13(15)18-12(9)6-10(11)8-1-3-16-4-2-8;1-5-2-3-6-4-5/h5-8,16H,1-4H2,(H2,15,17,18);5H,2-4H2,1H3
InChIKeyKSNHSYWZFFSOOZ-UHFFFAOYSA-N
XLogP3.38
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane
CID 156730670
2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol
CID 156730887
5-piperidin-4-ylpyrimidine-2,4-diamine
CID 22461017
6,7-dichloroquinazolin-2-amine
CID 611660
6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine
CID 156730691
5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine
CID 66995655
5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol
CID 171661359
5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide
CID 142783760
3-(azepan-4-yl)-5-chloropyridin-2-amine
CID 83261814
6-chloro-N-(5-methyl-1-propylpyrazol-4-yl)-7-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 156730602
(3R,4R)-4-[4-(2-amino-6-chloroquinazolin-7-yl)piperazin-1-yl]oxolan-3-ol
CID 162748114
(3S)-3-methyloxolane
CID 7857636

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane?
The IUPAC name of 6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane (CID 156730676) is 6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane.
What is the SMILES notation for 6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane?
The canonical SMILES for 6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane is CC1CCOC1.Nc1ncc2cc(Cl)c(C3CCNCC3)cc2n1.
What is the InChIKey of 6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane?
The InChIKey is KSNHSYWZFFSOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4.C5H10O/c14-11-5-9-7-17-13(15)18-12(9)6-10(11)8-1-3-16-4-2-8;1-5-2-3-6-4-5/h5-8,16H,1-4H2,(H2,15,17,18);5H,2-4H2,1H3.
What are the key properties of 6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane?
6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane has a molecular weight of 348.88 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane is sourced from PubChem (CID 156730676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).