4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline

C18H20N4 — CID 124946132

IUPAC4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
SMILESc1ccc2c(C[C@H]3CCN(Cc4cnc[nH]4)C3)ccnc2c1
InChIInChI=1S/C18H20N4/c1-2-4-18-17(3-1)15(5-7-20-18)9-14-6-8-22(11-14)12-16-10-19-13-21-16/h1-5,7,10,13-14H,6,8-9,11-12H2,(H,19,21)/t14-/m1/s1
InChIKeyBWBDQCSIGNYLEP-CQSZACIVSA-N
MW292.39 g/mol
LogP3.02
Rot. Bonds4

About 4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline

4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline (PubChem CID 124946132) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
PubChem CID124946132
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
SMILESc1ccc2c(C[C@H]3CCN(Cc4cnc[nH]4)C3)ccnc2c1
InChIInChI=1S/C18H20N4/c1-2-4-18-17(3-1)15(5-7-20-18)9-14-6-8-22(11-14)12-16-10-19-13-21-16/h1-5,7,10,13-14H,6,8-9,11-12H2,(H,19,21)/t14-/m1/s1
InChIKeyBWBDQCSIGNYLEP-CQSZACIVSA-N
XLogP3.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline?
The IUPAC name of 4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline (CID 124946132) is 4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline.
What is the SMILES notation for 4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline?
The canonical SMILES for 4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline is c1ccc2c(C[C@H]3CCN(Cc4cnc[nH]4)C3)ccnc2c1.
What is the InChIKey of 4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline?
The InChIKey is BWBDQCSIGNYLEP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-4-18-17(3-1)15(5-7-20-18)9-14-6-8-22(11-14)12-16-10-19-13-21-16/h1-5,7,10,13-14H,6,8-9,11-12H2,(H,19,21)/t14-/m1/s1.
What are the key properties of 4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline?
4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline has a molecular weight of 292.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline is sourced from PubChem (CID 124946132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).