N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide

C19H19ClN4O2 — CID 86884110

IUPACN-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC1CCN(c2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H19ClN4O2/c1-12-15(6-9-26-12)19(25)23-14-4-7-24(8-5-14)18-16-3-2-13(20)10-17(16)21-11-22-18/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,23,25)
InChIKeyCJLBVRUNGJTFCH-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.58
Rot. Bonds3

About N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide

N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide (PubChem CID 86884110) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
PubChem CID86884110
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC1CCN(c2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H19ClN4O2/c1-12-15(6-9-26-12)19(25)23-14-4-7-24(8-5-14)18-16-3-2-13(20)10-17(16)21-11-22-18/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,23,25)
InChIKeyCJLBVRUNGJTFCH-UHFFFAOYSA-N
XLogP3.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 24829708
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 86839632
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 87611497
2-chloro-N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-4-nitrobenzamide
CID 24830041
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 133361207
2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 87015310
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997340
tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate
CID 143371287
ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 133469987
methyl 4-[4-[4-[(2,3-dichlorobenzoyl)amino]piperidin-1-yl]quinazolin-7-yl]benzoate
CID 68879918
N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide
CID 68879453

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide (CID 86884110) is N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NC1CCN(c2ncnc3cc(Cl)ccc23)CC1.
What is the InChIKey of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide?
The InChIKey is CJLBVRUNGJTFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-15(6-9-26-12)19(25)23-14-4-7-24(8-5-14)18-16-3-2-13(20)10-17(16)21-11-22-18/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,23,25).
What are the key properties of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide?
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 86884110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).