5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol

C13H16ClN3O — CID 114148530

IUPAC5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C13H16ClN3O/c1-9(18)5-4-8-15-12-10-6-2-3-7-11(10)16-13(14)17-12/h2-3,6-7,9,18H,4-5,8H2,1H3,(H,15,16,17)
InChIKeyKRTOOOBSMQEZGY-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.86
Rot. Bonds5

About 5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol

5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol (PubChem CID 114148530) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
PubChem CID114148530
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C13H16ClN3O/c1-9(18)5-4-8-15-12-10-6-2-3-7-11(10)16-13(14)17-12/h2-3,6-7,9,18H,4-5,8H2,1H3,(H,15,16,17)
InChIKeyKRTOOOBSMQEZGY-UHFFFAOYSA-N
XLogP2.86
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
CID 106136485
4-[(2-chloroquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 66109317
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
2-chloro-N-(2-phenylsulfanylethyl)quinazolin-4-amine
CID 12827448
2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine
CID 113484441
3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide
CID 62477007
ethyl 3-[(2-chloroquinazolin-4-yl)amino]propanoate
CID 62477868
N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 121377379

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol (CID 114148530) is 5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol is CC(O)CCCNc1nc(Cl)nc2ccccc12.
What is the InChIKey of 5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol?
The InChIKey is KRTOOOBSMQEZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9(18)5-4-8-15-12-10-6-2-3-7-11(10)16-13(14)17-12/h2-3,6-7,9,18H,4-5,8H2,1H3,(H,15,16,17).
What are the key properties of 5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol?
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol has a molecular weight of 265.74 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 114148530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).