2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate

C19H26N4O4 — CID 175196931

IUPAC2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate
SMILESCOc1cc2ncnc(CN3CCC(CCOC(N)=O)CC3)c2cc1OC
InChIInChI=1S/C19H26N4O4/c1-25-17-9-14-15(10-18(17)26-2)21-12-22-16(14)11-23-6-3-13(4-7-23)5-8-27-19(20)24/h9-10,12-13H,3-8,11H2,1-2H3,(H2,20,24)
InChIKeyWOVPIRKOKVXPET-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.34
Rot. Bonds7

About 2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate

2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate (PubChem CID 175196931) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate.

Molecular Properties

Compound Name2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate
PubChem CID175196931
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate
SMILESCOc1cc2ncnc(CN3CCC(CCOC(N)=O)CC3)c2cc1OC
InChIInChI=1S/C19H26N4O4/c1-25-17-9-14-15(10-18(17)26-2)21-12-22-16(14)11-23-6-3-13(4-7-23)5-8-27-19(20)24/h9-10,12-13H,3-8,11H2,1-2H3,(H2,20,24)
InChIKeyWOVPIRKOKVXPET-UHFFFAOYSA-N
XLogP2.34
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethoxy-phenylphosphinic acid
CID 175033782
6,7-dimethoxy-4-propylquinazoline
CID 4077807
[cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate
CID 155125456
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453
N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 138468581
2-[1-(3,6,7-trimethoxyquinolin-4-yl)piperidin-4-yl]ethyl sulfamate
CID 175341820
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
1-[7-[3-[4-(aminomethyl)piperidin-1-yl]propoxy]-6-methoxyquinazolin-4-yl]-3-(2,6-difluorophenyl)urea
CID 22649224
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate?
The IUPAC name of 2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate (CID 175196931) is 2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate.
What is the SMILES notation for 2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate?
The canonical SMILES for 2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate is COc1cc2ncnc(CN3CCC(CCOC(N)=O)CC3)c2cc1OC.
What is the InChIKey of 2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate?
The InChIKey is WOVPIRKOKVXPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-25-17-9-14-15(10-18(17)26-2)21-12-22-16(14)11-23-6-3-13(4-7-23)5-8-27-19(20)24/h9-10,12-13H,3-8,11H2,1-2H3,(H2,20,24).
What are the key properties of 2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate?
2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate has a molecular weight of 374.44 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate is sourced from PubChem (CID 175196931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).