(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone

C26H24N4O3 — CID 127024409

IUPAC(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCNc1nnc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c2ccccc12
InChIInChI=1S/C26H24N4O3/c1-15-7-8-16-13-17(24-19-5-3-4-6-20(19)25(27-2)29-28-24)9-12-22(16)30(15)26(33)21-11-10-18(31)14-23(21)32/h3-6,9-15,31-32H,7-8H2,1-2H3,(H,27,29)/t15-/m0/s1
InChIKeyFLMXFYUZYPWMHO-HNNXBMFYSA-N
MW440.50 g/mol
LogP4.73
Rot. Bonds3

About (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone

(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 127024409) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID127024409
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCNc1nnc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c2ccccc12
InChIInChI=1S/C26H24N4O3/c1-15-7-8-16-13-17(24-19-5-3-4-6-20(19)25(27-2)29-28-24)9-12-22(16)30(15)26(33)21-11-10-18(31)14-23(21)32/h3-6,9-15,31-32H,7-8H2,1-2H3,(H,27,29)/t15-/m0/s1
InChIKeyFLMXFYUZYPWMHO-HNNXBMFYSA-N
XLogP4.73
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 127024409) is (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone is CNc1nnc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c2ccccc12.
What is the InChIKey of (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is FLMXFYUZYPWMHO-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-15-7-8-16-13-17(24-19-5-3-4-6-20(19)25(27-2)29-28-24)9-12-22(16)30(15)26(33)21-11-10-18(31)14-23(21)32/h3-6,9-15,31-32H,7-8H2,1-2H3,(H,27,29)/t15-/m0/s1.
What are the key properties of (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 440.50 g/mol, XLogP of 4.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 127024409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).