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

C25H25N3O — CID 5173334

IUPAC2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCCCOc1ccc2ccccc2c1C1Nc2ccc(C)cc2-c2cc(C)nn21
InChIInChI=1S/C25H25N3O/c1-4-13-29-23-12-10-18-7-5-6-8-19(18)24(23)25-26-21-11-9-16(2)14-20(21)22-15-17(3)27-28(22)25/h5-12,14-15,25-26H,4,13H2,1-3H3
InChIKeyCKZFKGUNGAPINY-UHFFFAOYSA-N
MW383.50 g/mol
LogP6.08
Rot. Bonds4

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

2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 5173334) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID5173334
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCCCOc1ccc2ccccc2c1C1Nc2ccc(C)cc2-c2cc(C)nn21
InChIInChI=1S/C25H25N3O/c1-4-13-29-23-12-10-18-7-5-6-8-19(18)24(23)25-26-21-11-9-16(2)14-20(21)22-15-17(3)27-28(22)25/h5-12,14-15,25-26H,4,13H2,1-3H3
InChIKeyCKZFKGUNGAPINY-UHFFFAOYSA-N
XLogP6.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3376125
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
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
3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
CID 54778434
1-ethyl-2-propoxynaphthalene
CID 129259410
2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778473
1-methylsulfanyl-2-propoxynaphthalene
CID 91657285
2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
CID 3158711
3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
CID 54778743

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 5173334) is 2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline is CCCOc1ccc2ccccc2c1C1Nc2ccc(C)cc2-c2cc(C)nn21.
What is the InChIKey of 2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is CKZFKGUNGAPINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-4-13-29-23-12-10-18-7-5-6-8-19(18)24(23)25-26-21-11-9-16(2)14-20(21)22-15-17(3)27-28(22)25/h5-12,14-15,25-26H,4,13H2,1-3H3.
What are the key properties of 2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 383.50 g/mol, XLogP of 6.08, 4 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-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 5173334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).