2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline

C27H29N3O — CID 3376125

IUPAC2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCCCCCOc1ccc2ccccc2c1C1Nc2ccc(C)cc2-c2cc(C)nn21
InChIInChI=1S/C27H29N3O/c1-4-5-8-15-31-25-14-12-20-9-6-7-10-21(20)26(25)27-28-23-13-11-18(2)16-22(23)24-17-19(3)29-30(24)27/h6-7,9-14,16-17,27-28H,4-5,8,15H2,1-3H3
InChIKeyIZRCYBNXIVUUOX-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.86
Rot. Bonds6

About 2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline

2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3376125) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3376125
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCCCCCOc1ccc2ccccc2c1C1Nc2ccc(C)cc2-c2cc(C)nn21
InChIInChI=1S/C27H29N3O/c1-4-5-8-15-31-25-14-12-20-9-6-7-10-21(20)26(25)27-28-23-13-11-18(2)16-22(23)24-17-19(3)29-30(24)27/h6-7,9-14,16-17,27-28H,4-5,8,15H2,1-3H3
InChIKeyIZRCYBNXIVUUOX-UHFFFAOYSA-N
XLogP6.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 5173334
5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3901500
(5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 136695696
5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158691
3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
CID 54778434
5-(furan-2-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3556244
4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol
CID 4546081
2-(5-methyl-2-tridecoxyphenyl)benzotriazole
CID 59946740
(2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene
CID 177409908
2,3-dihexoxy-1-methylphenanthrene
CID 10069112
2-methyl-9-pentylperoxyanthracene
CID 151061085
1-bromo-2-nonoxynaphthalene
CID 63529773

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3376125) is 2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline is CCCCCOc1ccc2ccccc2c1C1Nc2ccc(C)cc2-c2cc(C)nn21.
What is the InChIKey of 2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is IZRCYBNXIVUUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-4-5-8-15-31-25-14-12-20-9-6-7-10-21(20)26(25)27-28-23-13-11-18(2)16-22(23)24-17-19(3)29-30(24)27/h6-7,9-14,16-17,27-28H,4-5,8,15H2,1-3H3.
What are the key properties of 2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 411.55 g/mol, XLogP of 6.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3376125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).