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6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine

C20H22Cl2N6 — CID 156730691

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine
SMILESClc1cc2cnc(Nc3cnn(CC4CC4)c3Cl)nc2cc1C1CCNCC1
InChIInChI=1S/C20H22Cl2N6/c21-16-7-14-9-24-20(26-17(14)8-15(16)13-3-5-23-6-4-13)27-18-10-25-28(19(18)22)11-12-1-2-12/h7-10,12-13,23H,1-6,11H2,(H,24,26,27)
InChIKeyWWEUOBUYCFFJIW-UHFFFAOYSA-N
MW417.34 g/mol
LogP4.75
Rot. Bonds5

About 6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine

6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine (PubChem CID 156730691) has the molecular formula C20H22Cl2N6 and a molecular weight of 417.34 g/mol. Its IUPAC name is 6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine
PubChem CID156730691
Molecular FormulaC20H22Cl2N6
Molecular Weight417.34 g/mol
Exact Mass416.13
IUPAC Name6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine
SMILESClc1cc2cnc(Nc3cnn(CC4CC4)c3Cl)nc2cc1C1CCNCC1
InChIInChI=1S/C20H22Cl2N6/c21-16-7-14-9-24-20(26-17(14)8-15(16)13-3-5-23-6-4-13)27-18-10-25-28(19(18)22)11-12-1-2-12/h7-10,12-13,23H,1-6,11H2,(H,24,26,27)
InChIKeyWWEUOBUYCFFJIW-UHFFFAOYSA-N
XLogP4.75
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine?
The IUPAC name of 6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine (CID 156730691) is 6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine?
The canonical SMILES for 6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine is Clc1cc2cnc(Nc3cnn(CC4CC4)c3Cl)nc2cc1C1CCNCC1.
What is the InChIKey of 6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine?
The InChIKey is WWEUOBUYCFFJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N6/c21-16-7-14-9-24-20(26-17(14)8-15(16)13-3-5-23-6-4-13)27-18-10-25-28(19(18)22)11-12-1-2-12/h7-10,12-13,23H,1-6,11H2,(H,24,26,27).
What are the key properties of 6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine?
6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine has a molecular weight of 417.34 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine is sourced from PubChem (CID 156730691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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