N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride

C21H30ClN5O2 — CID 139938985

IUPACN-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2ncnc(NC3CCCCCCC3)c2c1)N1CCOCC1
InChIInChI=1S/C21H29N5O2.ClH/c27-21(26-10-12-28-13-11-26)25-17-8-9-19-18(14-17)20(23-15-22-19)24-16-6-4-2-1-3-5-7-16;/h8-9,14-16H,1-7,10-13H2,(H,25,27)(H,22,23,24);1H
InChIKeyLBFFHLDJUKTRDT-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.44
Rot. Bonds3

About N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride

N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride (PubChem CID 139938985) has the molecular formula C21H30ClN5O2 and a molecular weight of 419.96 g/mol. Its IUPAC name is N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride
PubChem CID139938985
Molecular FormulaC21H30ClN5O2
Molecular Weight419.96 g/mol
Exact Mass419.21
IUPAC NameN-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2ncnc(NC3CCCCCCC3)c2c1)N1CCOCC1
InChIInChI=1S/C21H29N5O2.ClH/c27-21(26-10-12-28-13-11-26)25-17-8-9-19-18(14-17)20(23-15-22-19)24-16-6-4-2-1-3-5-7-16;/h8-9,14-16H,1-7,10-13H2,(H,25,27)(H,22,23,24);1H
InChIKeyLBFFHLDJUKTRDT-UHFFFAOYSA-N
XLogP4.44
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride (CID 139938985) is N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2ncnc(NC3CCCCCCC3)c2c1)N1CCOCC1.
What is the InChIKey of N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride?
The InChIKey is LBFFHLDJUKTRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2.ClH/c27-21(26-10-12-28-13-11-26)25-17-8-9-19-18(14-17)20(23-15-22-19)24-16-6-4-2-1-3-5-7-16;/h8-9,14-16H,1-7,10-13H2,(H,25,27)(H,22,23,24);1H.
What are the key properties of N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride?
N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride has a molecular weight of 419.96 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride is sourced from PubChem (CID 139938985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).