6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline

C22H27N5O — CID 42278062

IUPAC6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline
SMILESCCOc1ccc2nc(N3CCCN(Cc4ccncc4)CC3)nc(C)c2c1
InChIInChI=1S/C22H27N5O/c1-3-28-19-5-6-21-20(15-19)17(2)24-22(25-21)27-12-4-11-26(13-14-27)16-18-7-9-23-10-8-18/h5-10,15H,3-4,11-14,16H2,1-2H3
InChIKeyHUHJVCFVWBEKLO-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.44
Rot. Bonds5

About 6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline

6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline (PubChem CID 42278062) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline.

Molecular Properties

Compound Name6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline
PubChem CID42278062
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline
SMILESCCOc1ccc2nc(N3CCCN(Cc4ccncc4)CC3)nc(C)c2c1
InChIInChI=1S/C22H27N5O/c1-3-28-19-5-6-21-20(15-19)17(2)24-22(25-21)27-12-4-11-26(13-14-27)16-18-7-9-23-10-8-18/h5-10,15H,3-4,11-14,16H2,1-2H3
InChIKeyHUHJVCFVWBEKLO-UHFFFAOYSA-N
XLogP3.44
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-4-methyl-2-[4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,4-diazepan-1-yl]quinazoline
CID 42162963
4-[1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]thiomorpholine
CID 118758928
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(2-pyrazol-1-ylethyl)azepan-4-amine
CID 45202558
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(3-pyridin-3-ylpropyl)azepan-4-amine
CID 45196940
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxan-4-ylmethyl)azepan-4-amine
CID 45168543
6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline
CID 45168993
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 126466431
4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine
CID 136557229
[1-(6-ethoxy-4-methylquinazolin-2-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 26358210
2-(3-ethoxyphenyl)-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 72916964
2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline
CID 42421672
(3S)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 42169579

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline?
The IUPAC name of 6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline (CID 42278062) is 6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline.
What is the SMILES notation for 6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline?
The canonical SMILES for 6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline is CCOc1ccc2nc(N3CCCN(Cc4ccncc4)CC3)nc(C)c2c1.
What is the InChIKey of 6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline?
The InChIKey is HUHJVCFVWBEKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-28-19-5-6-21-20(15-19)17(2)24-22(25-21)27-12-4-11-26(13-14-27)16-18-7-9-23-10-8-18/h5-10,15H,3-4,11-14,16H2,1-2H3.
What are the key properties of 6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline?
6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline has a molecular weight of 377.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline is sourced from PubChem (CID 42278062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).