2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol

C12H14ClN3O — CID 86910047

IUPAC2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C12H14ClN3O/c1-2-9(6-17)16-12-10-4-3-8(13)5-11(10)14-7-15-12/h3-5,7,9,17H,2,6H2,1H3,(H,14,15,16)
InChIKeyFMEDDVLVFLZHHX-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.47
Rot. Bonds4

About 2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol

2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol (PubChem CID 86910047) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
PubChem CID86910047
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C12H14ClN3O/c1-2-9(6-17)16-12-10-4-3-8(13)5-11(10)14-7-15-12/h3-5,7,9,17H,2,6H2,1H3,(H,14,15,16)
InChIKeyFMEDDVLVFLZHHX-UHFFFAOYSA-N
XLogP2.47
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
CID 175667937
2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide
CID 42961075
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 93033856
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide
CID 133300829
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
CID 1490538
2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
CID 110431564
(2S)-2-[(6-iodothieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 125421599
7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
CID 166321938

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol (CID 86910047) is 2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol is CCC(CO)Nc1ncnc2cc(Cl)ccc12.
What is the InChIKey of 2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol?
The InChIKey is FMEDDVLVFLZHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-2-9(6-17)16-12-10-4-3-8(13)5-11(10)14-7-15-12/h3-5,7,9,17H,2,6H2,1H3,(H,14,15,16).
What are the key properties of 2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol?
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol has a molecular weight of 251.72 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 86910047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).