N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride

C23H27ClN6O2 — CID 162659929

IUPACN-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4cnc5ccccc5c4)C3)CC2)nc1
InChIInChI=1S/C23H26N6O2.ClH/c30-21(27-31)19-13-25-22(26-14-19)29-9-6-23(7-10-29)5-8-28(16-23)15-17-11-18-3-1-2-4-20(18)24-12-17;/h1-4,11-14,31H,5-10,15-16H2,(H,27,30);1H
InChIKeyGXVLFTZTZABPLQ-UHFFFAOYSA-N
MW454.96 g/mol
LogP3.06
Rot. Bonds4

About N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride

N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 162659929) has the molecular formula C23H27ClN6O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
PubChem CID162659929
Molecular FormulaC23H27ClN6O2
Molecular Weight454.96 g/mol
Exact Mass454.19
IUPAC NameN-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4cnc5ccccc5c4)C3)CC2)nc1
InChIInChI=1S/C23H26N6O2.ClH/c30-21(27-31)19-13-25-22(26-14-19)29-9-6-23(7-10-29)5-8-28(16-23)15-17-11-18-3-1-2-4-20(18)24-12-17;/h1-4,11-14,31H,5-10,15-16H2,(H,27,30);1H
InChIKeyGXVLFTZTZABPLQ-UHFFFAOYSA-N
XLogP3.06
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride (CID 162659929) is N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4cnc5ccccc5c4)C3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is GXVLFTZTZABPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2.ClH/c30-21(27-31)19-13-25-22(26-14-19)29-9-6-23(7-10-29)5-8-28(16-23)15-17-11-18-3-1-2-4-20(18)24-12-17;/h1-4,11-14,31H,5-10,15-16H2,(H,27,30);1H.
What are the key properties of N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 454.96 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 162659929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).