2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one

C14H20N4O2 — CID 137266334

IUPAC2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one
SMILESCCN(CCO)CCNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H20N4O2/c1-2-18(9-10-19)8-7-15-14-16-12-6-4-3-5-11(12)13(20)17-14/h3-6,19H,2,7-10H2,1H3,(H2,15,16,17,20)
InChIKeyYWPGPFVTZVQPEX-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.65
Rot. Bonds7

About 2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one

2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one (PubChem CID 137266334) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one
PubChem CID137266334
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one
SMILESCCN(CCO)CCNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H20N4O2/c1-2-18(9-10-19)8-7-15-14-16-12-6-4-3-5-11(12)13(20)17-14/h3-6,19H,2,7-10H2,1H3,(H2,15,16,17,20)
InChIKeyYWPGPFVTZVQPEX-UHFFFAOYSA-N
XLogP0.65
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one
CID 137303948
N-benzyl-N-ethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264386
2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 137265087
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 137257492
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078
2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
CID 137273780

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one (CID 137266334) is 2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one is CCN(CCO)CCNc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one?
The InChIKey is YWPGPFVTZVQPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-18(9-10-19)8-7-15-14-16-12-6-4-3-5-11(12)13(20)17-14/h3-6,19H,2,7-10H2,1H3,(H2,15,16,17,20).
What are the key properties of 2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one?
2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one has a molecular weight of 276.34 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 137266334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).