3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine

C19H19ClN6O — CID 160995915

IUPAC3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CN3CCOCC3)c(Cl)c12
InChIInChI=1S/C19H19ClN6O/c20-17-15(10-26-5-7-27-8-6-26)23-18-12-2-1-11(13-3-4-22-25-13)9-14(12)24-19(21)16(17)18/h1-4,9,23H,5-8,10H2,(H2,21,24)(H,22,25)
InChIKeyTVFYDPZJRNWWMB-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.17
Rot. Bonds3

About 3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine

3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine (PubChem CID 160995915) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine.

Molecular Properties

Compound Name3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
PubChem CID160995915
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CN3CCOCC3)c(Cl)c12
InChIInChI=1S/C19H19ClN6O/c20-17-15(10-26-5-7-27-8-6-26)23-18-12-2-1-11(13-3-4-22-25-13)9-14(12)24-19(21)16(17)18/h1-4,9,23H,5-8,10H2,(H2,21,24)(H,22,25)
InChIKeyTVFYDPZJRNWWMB-UHFFFAOYSA-N
XLogP3.17
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The IUPAC name of 3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine (CID 160995915) is 3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine.
What is the SMILES notation for 3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The canonical SMILES for 3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CN3CCOCC3)c(Cl)c12.
What is the InChIKey of 3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The InChIKey is TVFYDPZJRNWWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c20-17-15(10-26-5-7-27-8-6-26)23-18-12-2-1-11(13-3-4-22-25-13)9-14(12)24-19(21)16(17)18/h1-4,9,23H,5-8,10H2,(H2,21,24)(H,22,25).
What are the key properties of 3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine has a molecular weight of 382.86 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine is sourced from PubChem (CID 160995915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).