2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide

C17H22ClN5O — CID 133296788

IUPAC2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(Nc2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C17H22ClN5O/c1-22(2)16(24)10-23-7-5-13(6-8-23)21-17-14-4-3-12(18)9-15(14)19-11-20-17/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,19,20,21)
InChIKeyGKTFPDPNEDIALQ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.25
Rot. Bonds4

About 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 133296788) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID133296788
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(Nc2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C17H22ClN5O/c1-22(2)16(24)10-23-7-5-13(6-8-23)21-17-14-4-3-12(18)9-15(14)19-11-20-17/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,19,20,21)
InChIKeyGKTFPDPNEDIALQ-UHFFFAOYSA-N
XLogP2.25
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine
CID 24632856
4-[[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]methyl]benzoic acid
CID 118916169
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061959
4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
CID 133357462
7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399280
6-chloro-N-cyclobutylquinazolin-4-amine
CID 13231187
1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87014727
N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide
CID 167848756
2-[4-(2-chloro-4-fluoroanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43773958
6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide (CID 133296788) is 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(Nc2ncnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is GKTFPDPNEDIALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-22(2)16(24)10-23-7-5-13(6-8-23)21-17-14-4-3-12(18)9-15(14)19-11-20-17/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 347.85 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 133296788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).