N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide

C16H20ClFN4O — CID 134314811

IUPACN-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide
SMILESCCCC[C@H](CNC(C)=O)Nc1nc(Cl)nc2cc(F)ccc12
InChIInChI=1S/C16H20ClFN4O/c1-3-4-5-12(9-19-10(2)23)20-15-13-7-6-11(18)8-14(13)21-16(17)22-15/h6-8,12H,3-5,9H2,1-2H3,(H,19,23)(H,20,21,22)/t12-/m1/s1
InChIKeyOBNBQAGBNKLINU-GFCCVEGCSA-N
MW338.81 g/mol
LogP3.53
Rot. Bonds7

About N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide

N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide (PubChem CID 134314811) has the molecular formula C16H20ClFN4O and a molecular weight of 338.81 g/mol. Its IUPAC name is N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide
PubChem CID134314811
Molecular FormulaC16H20ClFN4O
Molecular Weight338.81 g/mol
Exact Mass338.13
IUPAC NameN-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide
SMILESCCCC[C@H](CNC(C)=O)Nc1nc(Cl)nc2cc(F)ccc12
InChIInChI=1S/C16H20ClFN4O/c1-3-4-5-12(9-19-10(2)23)20-15-13-7-6-11(18)8-14(13)21-16(17)22-15/h6-8,12H,3-5,9H2,1-2H3,(H,19,23)(H,20,21,22)/t12-/m1/s1
InChIKeyOBNBQAGBNKLINU-GFCCVEGCSA-N
XLogP3.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide
CID 134305651
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide
CID 122585199
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide
CID 134364468
methyl 2-(2-chloro-7-fluoroquinazolin-4-yl)acetate
CID 137332580
2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122584957
2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid
CID 22693080
(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol
CID 157344193
(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
CID 158174222
1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate
CID 75518650
2,7-dichloro-N-propan-2-ylquinazolin-4-amine
CID 114693126
2-chloro-5-fluoro-N-heptan-3-ylaniline
CID 107527238
butyl 4-[(2-chloroquinazolin-4-yl)amino]benzoate
CID 22693003

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide?
The IUPAC name of N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide (CID 134314811) is N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide.
What is the SMILES notation for N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide?
The canonical SMILES for N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide is CCCC[C@H](CNC(C)=O)Nc1nc(Cl)nc2cc(F)ccc12.
What is the InChIKey of N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide?
The InChIKey is OBNBQAGBNKLINU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20ClFN4O/c1-3-4-5-12(9-19-10(2)23)20-15-13-7-6-11(18)8-14(13)21-16(17)22-15/h6-8,12H,3-5,9H2,1-2H3,(H,19,23)(H,20,21,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide?
N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide has a molecular weight of 338.81 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide is sourced from PubChem (CID 134314811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).