[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone

C30H29N3O4 — CID 10791379

IUPAC[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCN(CC(O)COc2cccc3ncccc23)CC1
InChIInChI=1S/C30H29N3O4/c34-21(20-36-26-13-5-10-25-22(26)9-6-14-31-25)19-32-15-17-33(18-16-32)30(35)29-23-7-1-3-11-27(23)37-28-12-4-2-8-24(28)29/h1-14,21,29,34H,15-20H2
InChIKeyFWJPNVOQWGVWFU-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.06
Rot. Bonds6

About [4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone

[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone (PubChem CID 10791379) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is [4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
PubChem CID10791379
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC Name[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCN(CC(O)COc2cccc3ncccc23)CC1
InChIInChI=1S/C30H29N3O4/c34-21(20-36-26-13-5-10-25-22(26)9-6-14-31-25)19-32-15-17-33(18-16-32)30(35)29-23-7-1-3-11-27(23)37-28-12-4-2-8-24(28)29/h1-14,21,29,34H,15-20H2
InChIKeyFWJPNVOQWGVWFU-UHFFFAOYSA-N
XLogP4.06
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid
CID 18727458
(2R)-1-[4-[(2S,4R)-3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]piperazin-1-yl]-3-quinolin-5-yloxypropan-2-ol;tetrahydrochloride
CID 134159522
2-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylacetaldehyde
CID 90259492
N-(1,7-diphenylheptan-4-yl)-3-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-3-oxopropanamide
CID 20622404
lithium;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxylate;[1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;methane;1-(2-methylphenyl)piperazine;hydrochloride
CID 160831083
(2R)-1-[4-(9,10-dichloro-2-tetracyclo[9.5.0.03,8.012,14]hexadeca-1(11),3,5,7,12(14),15-hexaenyl)piperazin-1-yl]-3-quinolin-5-yloxypropan-2-ol;trihydrochloride
CID 67360394
(2R)-1-[4-(9,10-difluoro-2-tetracyclo[9.5.0.03,8.012,14]hexadeca-1(11),3,5,7,12(14),15-hexaenyl)piperazin-1-yl]-3-quinolin-5-yloxypropan-2-ol
CID 22874414
N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide
CID 12020252
1-[4-[bis[4-(dimethylamino)phenyl]methylidene]piperidin-1-yl]-3-quinolin-5-yloxypropan-2-ol
CID 139710168
2-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-ylidene]-pyridin-3-ylmethyl]phenol
CID 139710192
ethyl 4-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]piperazine-1-carboxylate
CID 27646446
N-quinolin-5-yl-9H-xanthene-9-carboxamide
CID 3898707

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone?
The IUPAC name of [4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone (CID 10791379) is [4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1CCN(CC(O)COc2cccc3ncccc23)CC1.
What is the InChIKey of [4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone?
The InChIKey is FWJPNVOQWGVWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4/c34-21(20-36-26-13-5-10-25-22(26)9-6-14-31-25)19-32-15-17-33(18-16-32)30(35)29-23-7-1-3-11-27(23)37-28-12-4-2-8-24(28)29/h1-14,21,29,34H,15-20H2.
What are the key properties of [4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone?
[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone has a molecular weight of 495.58 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 10791379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).