N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide

C19H26ClN5O — CID 138988346

IUPACN-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNc2ncnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H26ClN5O/c1-19(2,3)24-18(26)25-8-6-13(7-9-25)11-21-17-15-10-14(20)4-5-16(15)22-12-23-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyXBBZNFZIYNZNIQ-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.92
Rot. Bonds3

About N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide

N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide (PubChem CID 138988346) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide
PubChem CID138988346
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC NameN-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNc2ncnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H26ClN5O/c1-19(2,3)24-18(26)25-8-6-13(7-9-25)11-21-17-15-10-14(20)4-5-16(15)22-12-23-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyXBBZNFZIYNZNIQ-UHFFFAOYSA-N
XLogP3.92
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6-chloroquinazolin-4-yl)amino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 138988487
N-tert-butyl-6-chloroquinazolin-4-amine
CID 119092250
cyclopropyl-[4-[[(6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
CID 146038099
N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide
CID 119049557
[4-[4-[[(6-aminoquinazolin-4-yl)amino]methyl]cyclohexyl]piperazin-1-yl]-(3-ethenylcyclobutyl)methanone
CID 145056135
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
methyl (1R,2S,5R)-5-(tert-butylamino)-2-[3-[(6-chloroquinazolin-4-yl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate
CID 68769009
6-chloro-N-cyclobutylquinazolin-4-amine
CID 13231187
N-tert-butyl-4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidine-1-carboxamide
CID 69056988
6-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 70854811
6-chloro-4-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine
CID 25178759
6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
CID 119049485

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide (CID 138988346) is N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(CNc2ncnc3ccc(Cl)cc23)CC1.
What is the InChIKey of N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide?
The InChIKey is XBBZNFZIYNZNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O/c1-19(2,3)24-18(26)25-8-6-13(7-9-25)11-21-17-15-10-14(20)4-5-16(15)22-12-23-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,24,26)(H,21,22,23).
What are the key properties of N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide has a molecular weight of 375.90 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 138988346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).