2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid

C18H25N5O4 — CID 67137425

IUPAC2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid
SMILESCOc1cc2nc(N3CCC(CCNC(=O)O)CC3)nc(N)c2cc1OC
InChIInChI=1S/C18H25N5O4/c1-26-14-9-12-13(10-15(14)27-2)21-17(22-16(12)19)23-7-4-11(5-8-23)3-6-20-18(24)25/h9-11,20H,3-8H2,1-2H3,(H,24,25)(H2,19,21,22)
InChIKeyNWSOHMNRNBIBCH-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.10
Rot. Bonds6

About 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid

2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid (PubChem CID 67137425) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid
PubChem CID67137425
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid
SMILESCOc1cc2nc(N3CCC(CCNC(=O)O)CC3)nc(N)c2cc1OC
InChIInChI=1S/C18H25N5O4/c1-26-14-9-12-13(10-15(14)27-2)21-17(22-16(12)19)23-7-4-11(5-8-23)3-6-20-18(24)25/h9-11,20H,3-8H2,1-2H3,(H,24,25)(H2,19,21,22)
InChIKeyNWSOHMNRNBIBCH-UHFFFAOYSA-N
XLogP2.10
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
4-acetyl-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 44532219
ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate
CID 3049505
2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 45259798
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
1-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]cyclopentan-1-ol
CID 57012621
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
CID 163462957
CID 163462957
3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-N-butyl-3-oxopropanamide
CID 19063102
2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67135999
1,7-bis[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3,3,5,5-tetramethylheptane-1,7-dione
CID 137398803

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid (CID 67137425) is 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid is COc1cc2nc(N3CCC(CCNC(=O)O)CC3)nc(N)c2cc1OC.
What is the InChIKey of 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid?
The InChIKey is NWSOHMNRNBIBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-26-14-9-12-13(10-15(14)27-2)21-17(22-16(12)19)23-7-4-11(5-8-23)3-6-20-18(24)25/h9-11,20H,3-8H2,1-2H3,(H,24,25)(H2,19,21,22).
What are the key properties of 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid?
2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid has a molecular weight of 375.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 67137425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).