4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid

C14H17N3O3 — CID 104762210

IUPAC4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid
SMILESCOC(C)(C)CNc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-14(2,20-3)8-15-11-9-6-4-5-7-10(9)16-12(17-11)13(18)19/h4-7H,8H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyCNTVNBSXTBQKML-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.16
Rot. Bonds5

About 4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid

4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid (PubChem CID 104762210) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid
PubChem CID104762210
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid
SMILESCOC(C)(C)CNc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-14(2,20-3)8-15-11-9-6-4-5-7-10(9)16-12(17-11)13(18)19/h4-7H,8H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyCNTVNBSXTBQKML-UHFFFAOYSA-N
XLogP2.16
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-dimethylpropylamino)quinazoline-2-carboxylic acid
CID 63867718
4-(methylamino)quinazoline-2-carboxylic acid
CID 63867097
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094
4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
CID 106136485
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
4-(2-butoxyethylamino)quinazoline-2-carboxylic acid
CID 63867859
4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
CID 107853406
4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid
CID 83016198
2-[(2-methoxy-2-methylpropyl)amino]quinoline-5-carboxylic acid
CID 104762233
4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid
CID 62406409
4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid
CID 62405684
4-[(5-bromothiophen-2-yl)methylamino]quinazoline-2-carboxylic acid
CID 62405169

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid (CID 104762210) is 4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid is COC(C)(C)CNc1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid?
The InChIKey is CNTVNBSXTBQKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2,20-3)8-15-11-9-6-4-5-7-10(9)16-12(17-11)13(18)19/h4-7H,8H2,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid?
4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid is sourced from PubChem (CID 104762210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).