[1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid

C25H24N4O2 — CID 122457801

IUPAC[1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(Cc2ccc3cncc(-c4ccc5ccccc5n4)c3c2)CC1
InChIInChI=1S/C25H24N4O2/c30-25(31)27-20-9-11-29(12-10-20)16-17-5-6-19-14-26-15-22(21(19)13-17)24-8-7-18-3-1-2-4-23(18)28-24/h1-8,13-15,20,27H,9-12,16H2,(H,30,31)
InChIKeyCSHAIPWODDOAGN-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.68
Rot. Bonds4

About [1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid

[1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid (PubChem CID 122457801) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is [1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid
PubChem CID122457801
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name[1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(Cc2ccc3cncc(-c4ccc5ccccc5n4)c3c2)CC1
InChIInChI=1S/C25H24N4O2/c30-25(31)27-20-9-11-29(12-10-20)16-17-5-6-19-14-26-15-22(21(19)13-17)24-8-7-18-3-1-2-4-23(18)28-24/h1-8,13-15,20,27H,9-12,16H2,(H,30,31)
InChIKeyCSHAIPWODDOAGN-UHFFFAOYSA-N
XLogP4.68
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-4-yl]carbamic acid
CID 122457727
[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid
CID 154457782
N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide
CID 122495432
[1-[(4-bromo-8-chloroisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid
CID 122457685
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
tert-butyl N-[1-[[4-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]phenyl]isoquinolin-6-yl]methyl]piperidin-4-yl]carbamate
CID 122495293
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide
CID 139943198
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 129489272
N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
CID 3479625
N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide
CID 19762442
1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one
CID 174877630
N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 35558093

Frequently Asked Questions

What is the IUPAC name of [1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid (CID 122457801) is [1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(Cc2ccc3cncc(-c4ccc5ccccc5n4)c3c2)CC1.
What is the InChIKey of [1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid?
The InChIKey is CSHAIPWODDOAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c30-25(31)27-20-9-11-29(12-10-20)16-17-5-6-19-14-26-15-22(21(19)13-17)24-8-7-18-3-1-2-4-23(18)28-24/h1-8,13-15,20,27H,9-12,16H2,(H,30,31).
What are the key properties of [1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid?
[1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid has a molecular weight of 412.49 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 122457801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).