1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline

C38H28N2O2 — CID 139190542

IUPAC1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline
SMILESOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C20H14O2.2C9H7N/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-2-6-9-8(4-1)5-3-7-10-9/h1-12,21-22H;2*1-7H
InChIKeyOROQGXADJVPRQP-UHFFFAOYSA-N
MW544.65 g/mol
LogP9.54
Rot. Bonds1

About 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline

1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline (PubChem CID 139190542) has the molecular formula C38H28N2O2 and a molecular weight of 544.65 g/mol. Its IUPAC name is 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline.

Molecular Properties

Compound Name1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline
PubChem CID139190542
Molecular FormulaC38H28N2O2
Molecular Weight544.65 g/mol
Exact Mass544.22
IUPAC Name1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline
SMILESOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C20H14O2.2C9H7N/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-2-6-9-8(4-1)5-3-7-10-9/h1-12,21-22H;2*1-7H
InChIKeyOROQGXADJVPRQP-UHFFFAOYSA-N
XLogP9.54
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 59.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-20-ol
CID 44467662
(1S,14R,15R)-25-(2-methylpropyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-20-ol
CID 45270599
CU-CPT9b
CID 135567366
9-(4-Hydroxyphenyl)-2,7-Phenanthroline
CID 447874
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
Unii-8KG95Q2dqh
CID 25268906
Phenol, p-[2-(4-quinolyl)vinyl]-
CID 741423
5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 761547
5-((1,2,3,4-Tetrahydroisoquinolin-2-yl)methyl)quinolin-8-ol
CID 2398303
5-[(4-Benzylpiperidin-1-yl)methyl]quinolin-8-ol
CID 698133
(S)-6-(propyl(2-(4-(quinolin-4-yl)piperazin-1-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 46180160
1-[[Ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 2396090

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline?
The IUPAC name of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline (CID 139190542) is 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline.
What is the SMILES notation for 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline?
The canonical SMILES for 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline is Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.c1ccc2ncccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline?
The InChIKey is OROQGXADJVPRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.2C9H7N/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-2-6-9-8(4-1)5-3-7-10-9/h1-12,21-22H;2*1-7H.
What are the key properties of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline?
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline has a molecular weight of 544.65 g/mol, XLogP of 9.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;quinoline is sourced from PubChem (CID 139190542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).