5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol

C22H26N4O — CID 135814136

IUPAC5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
SMILESCCN(CC)c1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c(O)c1
InChIInChI=1S/C22H26N4O/c1-5-25(6-2)16-10-11-18(20(27)13-16)22-23-21-14(3)8-7-9-17(21)19-12-15(4)24-26(19)22/h7-13,22-23,27H,5-6H2,1-4H3/t22-/m0/s1
InChIKeyRYGXXXSQKZWWES-QFIPXVFZSA-N
MW362.48 g/mol
LogP4.69
Rot. Bonds4

About 5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol

5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (PubChem CID 135814136) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
PubChem CID135814136
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
SMILESCCN(CC)c1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c(O)c1
InChIInChI=1S/C22H26N4O/c1-5-25(6-2)16-10-11-18(20(27)13-16)22-23-21-14(3)8-7-9-17(21)19-12-15(4)24-26(19)22/h7-13,22-23,27H,5-6H2,1-4H3/t22-/m0/s1
InChIKeyRYGXXXSQKZWWES-QFIPXVFZSA-N
XLogP4.69
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (CID 135814136) is 5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is CCN(CC)c1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The InChIKey is RYGXXXSQKZWWES-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N4O/c1-5-25(6-2)16-10-11-18(20(27)13-16)22-23-21-14(3)8-7-9-17(21)19-12-15(4)24-26(19)22/h7-13,22-23,27H,5-6H2,1-4H3/t22-/m0/s1.
What are the key properties of 5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol has a molecular weight of 362.48 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is sourced from PubChem (CID 135814136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).