N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide

C27H28N4O — CID 110251614

IUPACN-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc(C2CCN(Cc3ccc4ncccc4c3)C2)nc2ccccc12
InChIInChI=1S/C27H28N4O/c1-18(2)29-27(32)23-15-26(30-25-8-4-3-7-22(23)25)21-11-13-31(17-21)16-19-9-10-24-20(14-19)6-5-12-28-24/h3-10,12,14-15,18,21H,11,13,16-17H2,1-2H3,(H,29,32)
InChIKeyHZNJVMBPABKCEV-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.91
Rot. Bonds5

About N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide

N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 110251614) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID110251614
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC NameN-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc(C2CCN(Cc3ccc4ncccc4c3)C2)nc2ccccc12
InChIInChI=1S/C27H28N4O/c1-18(2)29-27(32)23-15-26(30-25-8-4-3-7-22(23)25)21-11-13-31(17-21)16-19-9-10-24-20(14-19)6-5-12-28-24/h3-10,12,14-15,18,21H,11,13,16-17H2,1-2H3,(H,29,32)
InChIKeyHZNJVMBPABKCEV-UHFFFAOYSA-N
XLogP4.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide (CID 110251614) is N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide is CC(C)NC(=O)c1cc(C2CCN(Cc3ccc4ncccc4c3)C2)nc2ccccc12.
What is the InChIKey of N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is HZNJVMBPABKCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-18(2)29-27(32)23-15-26(30-25-8-4-3-7-22(23)25)21-11-13-31(17-21)16-19-9-10-24-20(14-19)6-5-12-28-24/h3-10,12,14-15,18,21H,11,13,16-17H2,1-2H3,(H,29,32).
What are the key properties of N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 110251614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).