1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea

C18H25N5O3 — CID 138468814

IUPAC1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
SMILESCNC(=O)NCC1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1
InChIInChI=1S/C18H25N5O3/c1-19-18(24)20-10-12-4-6-23(7-5-12)17-13-8-15(25-2)16(26-3)9-14(13)21-11-22-17/h8-9,11-12H,4-7,10H2,1-3H3,(H2,19,20,24)
InChIKeyJEMFWXRYOYXJLN-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.79
Rot. Bonds5

About 1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea

1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea (PubChem CID 138468814) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
PubChem CID138468814
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
SMILESCNC(=O)NCC1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1
InChIInChI=1S/C18H25N5O3/c1-19-18(24)20-10-12-4-6-23(7-5-12)17-13-8-15(25-2)16(26-3)9-14(13)21-11-22-17/h8-9,11-12H,4-7,10H2,1-3H3,(H2,19,20,24)
InChIKeyJEMFWXRYOYXJLN-UHFFFAOYSA-N
XLogP1.79
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea with MolForge

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Related Compounds

2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
N-(difluoromethylsulfanyl)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanamine
CID 142539742
(2S)-2-amino-N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-methylbutanamide;dihydrochloride
CID 18607961
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685
N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 138468581
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea (CID 138468814) is 1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea is CNC(=O)NCC1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1.
What is the InChIKey of 1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea?
The InChIKey is JEMFWXRYOYXJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-19-18(24)20-10-12-4-6-23(7-5-12)17-13-8-15(25-2)16(26-3)9-14(13)21-11-22-17/h8-9,11-12H,4-7,10H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea?
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea has a molecular weight of 359.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea is sourced from PubChem (CID 138468814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).