6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

C26H29N3O5 — CID 4075296

IUPAC6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NC(CO)C(=O)Nc1ccc3ncccc3c1)O2
InChIInChI=1S/C26H29N3O5/c1-14-15(2)23-19(16(3)22(14)31)9-10-26(4,34-23)25(33)29-21(13-30)24(32)28-18-7-8-20-17(12-18)6-5-11-27-20/h5-8,11-12,21,30-31H,9-10,13H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyRLCOJIQXVTTZKW-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.07
Rot. Bonds5

About 6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (PubChem CID 4075296) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
PubChem CID4075296
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NC(CO)C(=O)Nc1ccc3ncccc3c1)O2
InChIInChI=1S/C26H29N3O5/c1-14-15(2)23-19(16(3)22(14)31)9-10-26(4,34-23)25(33)29-21(13-30)24(32)28-18-7-8-20-17(12-18)6-5-11-27-20/h5-8,11-12,21,30-31H,9-10,13H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyRLCOJIQXVTTZKW-UHFFFAOYSA-N
XLogP3.07
TPSA120.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of 6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (CID 4075296) is 6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NC(CO)C(=O)Nc1ccc3ncccc3c1)O2.
What is the InChIKey of 6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The InChIKey is RLCOJIQXVTTZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-14-15(2)23-19(16(3)22(14)31)9-10-26(4,34-23)25(33)29-21(13-30)24(32)28-18-7-8-20-17(12-18)6-5-11-27-20/h5-8,11-12,21,30-31H,9-10,13H2,1-4H3,(H,28,32)(H,29,33).
What are the key properties of 6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 3.07, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 4075296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).