1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide

C18H24ClN5O2 — CID 45233587

IUPAC1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide
SMILESCOCCNc1nc(CN2CCCC(C(N)=O)C2)nc2ccc(Cl)cc12
InChIInChI=1S/C18H24ClN5O2/c1-26-8-6-21-18-14-9-13(19)4-5-15(14)22-16(23-18)11-24-7-2-3-12(10-24)17(20)25/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,20,25)(H,21,22,23)
InChIKeyVNQAYLSCVBYMBE-UHFFFAOYSA-N
MW377.88 g/mol
LogP2.04
Rot. Bonds7

About 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide

1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 45233587) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide
PubChem CID45233587
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide
SMILESCOCCNc1nc(CN2CCCC(C(N)=O)C2)nc2ccc(Cl)cc12
InChIInChI=1S/C18H24ClN5O2/c1-26-8-6-21-18-14-9-13(19)4-5-15(14)22-16(23-18)11-24-7-2-3-12(10-24)17(20)25/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,20,25)(H,21,22,23)
InChIKeyVNQAYLSCVBYMBE-UHFFFAOYSA-N
XLogP2.04
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate
CID 45191258
1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide
CID 80656948
1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]piperidine-3-carboxamide
CID 80655568
N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 137136914
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 92876600
7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine
CID 126467058
1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide
CID 134697105
methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 8545211
N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide
CID 97277175
1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 43228705
methyl 1-[(3,6-dichloro-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 113330922

Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide (CID 45233587) is 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide is COCCNc1nc(CN2CCCC(C(N)=O)C2)nc2ccc(Cl)cc12.
What is the InChIKey of 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is VNQAYLSCVBYMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-26-8-6-21-18-14-9-13(19)4-5-15(14)22-16(23-18)11-24-7-2-3-12(10-24)17(20)25/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,20,25)(H,21,22,23).
What are the key properties of 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide?
1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45233587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).