N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine

C20H24N4 — CID 50979401

IUPACN-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1CN(Cc1ccnc2ccccc12)C1CC1
InChIInChI=1S/C20H24N4/c1-14-19(15(2)23(3)22-14)13-24(17-8-9-17)12-16-10-11-21-20-7-5-4-6-18(16)20/h4-7,10-11,17H,8-9,12-13H2,1-3H3
InChIKeyZBATYIFBMJISDQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.75
Rot. Bonds5

About N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine

N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 50979401) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID50979401
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1CN(Cc1ccnc2ccccc12)C1CC1
InChIInChI=1S/C20H24N4/c1-14-19(15(2)23(3)22-14)13-24(17-8-9-17)12-16-10-11-21-20-7-5-4-6-18(16)20/h4-7,10-11,17H,8-9,12-13H2,1-3H3
InChIKeyZBATYIFBMJISDQ-UHFFFAOYSA-N
XLogP3.75
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine (CID 50979401) is N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine is Cc1nn(C)c(C)c1CN(Cc1ccnc2ccccc12)C1CC1.
What is the InChIKey of N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is ZBATYIFBMJISDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-14-19(15(2)23(3)22-14)13-24(17-8-9-17)12-16-10-11-21-20-7-5-4-6-18(16)20/h4-7,10-11,17H,8-9,12-13H2,1-3H3.
What are the key properties of N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 320.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 50979401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).