N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide

C18H15N3O2 — CID 155944873

IUPACN-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1cccc2cnncc12)C1CCOc2ccccc21
InChIInChI=1S/C18H15N3O2/c22-18(14-8-9-23-17-7-2-1-5-13(14)17)21-16-6-3-4-12-10-19-20-11-15(12)16/h1-7,10-11,14H,8-9H2,(H,21,22)
InChIKeySOBUXLJNQUXWBW-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.13
Rot. Bonds2

About N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide

N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 155944873) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID155944873
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1cccc2cnncc12)C1CCOc2ccccc21
InChIInChI=1S/C18H15N3O2/c22-18(14-8-9-23-17-7-2-1-5-13(14)17)21-16-6-3-4-12-10-19-20-11-15(12)16/h1-7,10-11,14H,8-9H2,(H,21,22)
InChIKeySOBUXLJNQUXWBW-UHFFFAOYSA-N
XLogP3.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 103909491
N-(4-methyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 112691321
N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79760288
N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710267
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79041186
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708496
(4R)-6-chloro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 156906883
N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 106912130
N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710976
(4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 97246485
(4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 124527741
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623

Frequently Asked Questions

What is the IUPAC name of N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide (CID 155944873) is N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide is O=C(Nc1cccc2cnncc12)C1CCOc2ccccc21.
What is the InChIKey of N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is SOBUXLJNQUXWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-18(14-8-9-23-17-7-2-1-5-13(14)17)21-16-6-3-4-12-10-19-20-11-15(12)16/h1-7,10-11,14H,8-9H2,(H,21,22).
What are the key properties of N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide?
N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 155944873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).