carbonic acid;quinoline

C11H11NO6 — CID 23206844

IUPACcarbonic acid;quinoline
SMILESO=C(O)O.O=C(O)O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.2CH2O3/c1-2-6-9-8(4-1)5-3-7-10-9;2*2-1(3)4/h1-7H;2*(H2,2,3,4)
InChIKeyQHPFRMBYYWGHJL-UHFFFAOYSA-N
MW253.21 g/mol
LogP2.68
Rot. Bonds

About carbonic acid;quinoline

carbonic acid;quinoline (PubChem CID 23206844) has the molecular formula C11H11NO6 and a molecular weight of 253.21 g/mol. Its IUPAC name is carbonic acid;quinoline.

Molecular Properties

Compound Namecarbonic acid;quinoline
PubChem CID23206844
Molecular FormulaC11H11NO6
Molecular Weight253.21 g/mol
Exact Mass253.06
IUPAC Namecarbonic acid;quinoline
SMILESO=C(O)O.O=C(O)O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.2CH2O3/c1-2-6-9-8(4-1)5-3-7-10-9;2*2-1(3)4/h1-7H;2*(H2,2,3,4)
InChIKeyQHPFRMBYYWGHJL-UHFFFAOYSA-N
XLogP2.68
TPSA127.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-Nitroquinoline 1-Oxide
CID 5955
Quinoline
CID 7047
6-Methylquinoline
CID 7059
4-Methylquinoline
CID 10285
8-Methylquinoline
CID 11910
5-Aminoisoquinoline
CID 70766
3-Aminoquinoline
CID 11375
3-Methylquinoline
CID 11926
5-Aminoquinoline
CID 11911
4-(4-Dimethylaminostyryl)quinoline
CID 668053
6-Aminoquinoline
CID 11373
8-Aminoquinoline
CID 11359

Frequently Asked Questions

What is the IUPAC name of carbonic acid;quinoline?
The IUPAC name of carbonic acid;quinoline (CID 23206844) is carbonic acid;quinoline.
What is the SMILES notation for carbonic acid;quinoline?
The canonical SMILES for carbonic acid;quinoline is O=C(O)O.O=C(O)O.c1ccc2ncccc2c1.
What is the InChIKey of carbonic acid;quinoline?
The InChIKey is QHPFRMBYYWGHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.2CH2O3/c1-2-6-9-8(4-1)5-3-7-10-9;2*2-1(3)4/h1-7H;2*(H2,2,3,4).
What are the key properties of carbonic acid;quinoline?
carbonic acid;quinoline has a molecular weight of 253.21 g/mol, XLogP of 2.68, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;quinoline is sourced from PubChem (CID 23206844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).