2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline

C23H32N6 — CID 42421672

IUPAC2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline
SMILESCCn1cc(CN2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c(C)n1
InChIInChI=1S/C23H32N6/c1-6-29-15-20(18(4)26-29)14-27-8-7-9-28(11-10-27)23-24-19(5)21-12-16(2)17(3)13-22(21)25-23/h12-13,15H,6-11,14H2,1-5H3
InChIKeyAUGPNMXZAWILPL-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.79
Rot. Bonds4

About 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline

2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline (PubChem CID 42421672) has the molecular formula C23H32N6 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline.

Molecular Properties

Compound Name2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline
PubChem CID42421672
Molecular FormulaC23H32N6
Molecular Weight392.55 g/mol
Exact Mass392.27
IUPAC Name2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline
SMILESCCn1cc(CN2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c(C)n1
InChIInChI=1S/C23H32N6/c1-6-29-15-20(18(4)26-29)14-27-8-7-9-28(11-10-27)23-24-19(5)21-12-16(2)17(3)13-22(21)25-23/h12-13,15H,6-11,14H2,1-5H3
InChIKeyAUGPNMXZAWILPL-UHFFFAOYSA-N
XLogP3.79
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline with MolForge

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Related Compounds

4-chloro-N,N-dimethyl-5-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-amine
CID 126465254
N-[5-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-yl]methyl]thiophen-2-yl]acetamide
CID 26347823
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 83890851
6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline
CID 42278062
2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline
CID 28809890
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 22208487
3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
CID 110244676
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 171667377
(1-ethyl-5-methylpyrazol-4-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19478179
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22208484

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline?
The IUPAC name of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline (CID 42421672) is 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline.
What is the SMILES notation for 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline?
The canonical SMILES for 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline is CCn1cc(CN2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c(C)n1.
What is the InChIKey of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline?
The InChIKey is AUGPNMXZAWILPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6/c1-6-29-15-20(18(4)26-29)14-27-8-7-9-28(11-10-27)23-24-19(5)21-12-16(2)17(3)13-22(21)25-23/h12-13,15H,6-11,14H2,1-5H3.
What are the key properties of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline?
2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline has a molecular weight of 392.55 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline is sourced from PubChem (CID 42421672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).