4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid

C15H17N3O3 — CID 62405853

IUPAC4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(NCCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C15H17N3O3/c19-15(20)14-17-12-6-2-1-5-11(12)13(18-14)16-8-7-10-4-3-9-21-10/h1-2,5-6,10H,3-4,7-9H2,(H,19,20)(H,16,17,18)
InChIKeyNWQKBSBUVPRYHV-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.31
Rot. Bonds5

About 4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid

4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid (PubChem CID 62405853) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid
PubChem CID62405853
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(NCCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C15H17N3O3/c19-15(20)14-17-12-6-2-1-5-11(12)13(18-14)16-8-7-10-4-3-9-21-10/h1-2,5-6,10H,3-4,7-9H2,(H,19,20)(H,16,17,18)
InChIKeyNWQKBSBUVPRYHV-UHFFFAOYSA-N
XLogP2.31
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid
CID 63377382
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094
4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid
CID 63868694
4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid
CID 167745414
4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
CID 106136485
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
4-(2,2-dimethylpropylamino)quinazoline-2-carboxylic acid
CID 63867718
4-(2-butoxyethylamino)quinazoline-2-carboxylic acid
CID 63867859
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide
CID 132971003
tert-butyl 3-[[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]methyl]benzoate
CID 166357526
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid (CID 62405853) is 4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid is O=C(O)c1nc(NCCC2CCCO2)c2ccccc2n1.
What is the InChIKey of 4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid?
The InChIKey is NWQKBSBUVPRYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(20)14-17-12-6-2-1-5-11(12)13(18-14)16-8-7-10-4-3-9-21-10/h1-2,5-6,10H,3-4,7-9H2,(H,19,20)(H,16,17,18).
What are the key properties of 4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid?
4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid is sourced from PubChem (CID 62405853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).