N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide

C20H22ClN3O2 — CID 174373909

IUPACN-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2ccc(Cl)cc2c1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H22ClN3O2/c1-13(19(26)24-8-6-20(4-5-20)7-9-24)23-18(25)15-10-14-11-16(21)2-3-17(14)22-12-15/h2-3,10-13H,4-9H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyHGMFHLAMMFXNTA-CYBMUJFWSA-N
MW371.87 g/mol
LogP3.41
Rot. Bonds3

About N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide

N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide (PubChem CID 174373909) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide
PubChem CID174373909
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2ccc(Cl)cc2c1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H22ClN3O2/c1-13(19(26)24-8-6-20(4-5-20)7-9-24)23-18(25)15-10-14-11-16(21)2-3-17(14)22-12-15/h2-3,10-13H,4-9H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyHGMFHLAMMFXNTA-CYBMUJFWSA-N
XLogP3.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide?
The IUPAC name of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide (CID 174373909) is N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide is C[C@@H](NC(=O)c1cnc2ccc(Cl)cc2c1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide?
The InChIKey is HGMFHLAMMFXNTA-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-13(19(26)24-8-6-20(4-5-20)7-9-24)23-18(25)15-10-14-11-16(21)2-3-17(14)22-12-15/h2-3,10-13H,4-9H2,1H3,(H,23,25)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide?
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide is sourced from PubChem (CID 174373909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).