N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide

C25H25N3O3 — CID 137462490

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide
SMILESCOCC#Cc1cccc2c(N(C)C)c(C(=O)NC3CCOc4ccccc43)cnc12
InChIInChI=1S/C25H25N3O3/c1-28(2)24-19-11-6-8-17(9-7-14-30-3)23(19)26-16-20(24)25(29)27-21-13-15-31-22-12-5-4-10-18(21)22/h4-6,8,10-12,16,21H,13-15H2,1-3H3,(H,27,29)
InChIKeyRCZZGYDFIZAATM-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.55
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide (PubChem CID 137462490) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide
PubChem CID137462490
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide
SMILESCOCC#Cc1cccc2c(N(C)C)c(C(=O)NC3CCOc4ccccc43)cnc12
InChIInChI=1S/C25H25N3O3/c1-28(2)24-19-11-6-8-17(9-7-14-30-3)23(19)26-16-20(24)25(29)27-21-13-15-31-22-12-5-4-10-18(21)22/h4-6,8,10-12,16,21H,13-15H2,1-3H3,(H,27,29)
InChIKeyRCZZGYDFIZAATM-UHFFFAOYSA-N
XLogP3.55
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-7-fluoroquinoline-3-carboxamide
CID 134497953
8-(cyclohepten-1-yl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)quinoline-3-carboxamide
CID 137462474
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide
CID 154942273
8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 154951312
8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide
CID 146252297
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134498034
7-chloro-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,5-naphthyridine-3-carboxamide
CID 146501502
N-(3,4-dihydro-2H-chromen-4-yl)-4-(methoxymethyl)-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 134511483
N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 154942170
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
CID 134502145
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 134502143

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide (CID 137462490) is N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide is COCC#Cc1cccc2c(N(C)C)c(C(=O)NC3CCOc4ccccc43)cnc12.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide?
The InChIKey is RCZZGYDFIZAATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-28(2)24-19-11-6-8-17(9-7-14-30-3)23(19)26-16-20(24)25(29)27-21-13-15-31-22-12-5-4-10-18(21)22/h4-6,8,10-12,16,21H,13-15H2,1-3H3,(H,27,29).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide is sourced from PubChem (CID 137462490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).