N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine

C22H24N4O — CID 68944579

IUPACN-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
SMILESc1cc(CN2CCOCC2)cc(-c2ccc3ncnc(NC4CC4)c3c2)c1
InChIInChI=1S/C22H24N4O/c1-2-16(14-26-8-10-27-11-9-26)12-17(3-1)18-4-7-21-20(13-18)22(24-15-23-21)25-19-5-6-19/h1-4,7,12-13,15,19H,5-6,8-11,14H2,(H,23,24,25)
InChIKeyYTOXMZIFPRQGHR-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.70
Rot. Bonds5

About N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine

N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine (PubChem CID 68944579) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
PubChem CID68944579
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
SMILESc1cc(CN2CCOCC2)cc(-c2ccc3ncnc(NC4CC4)c3c2)c1
InChIInChI=1S/C22H24N4O/c1-2-16(14-26-8-10-27-11-9-26)12-17(3-1)18-4-7-21-20(13-18)22(24-15-23-21)25-19-5-6-19/h1-4,7,12-13,15,19H,5-6,8-11,14H2,(H,23,24,25)
InChIKeyYTOXMZIFPRQGHR-UHFFFAOYSA-N
XLogP3.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
CID 72877134
1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 57435013
6-[3-(anilinomethyl)phenyl]-N-cyclopropylquinazolin-4-amine
CID 68942507
8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
CID 57435027
N-cyclohexyl-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-4-amine
CID 69186801
N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 162366578
2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide
CID 57435011
6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine
CID 130446899
N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]phenyl]quinazolin-4-amine;pyrazine-2-carboxylic acid
CID 172857134
N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-(furan-2-ylmethyl)acetamide
CID 68945376
N-cyclopropyl-6-[3-[1-(cyclopropylamino)ethyl]phenyl]quinazolin-4-amine
CID 68946542
2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
CID 118475287

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine (CID 68944579) is N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine is c1cc(CN2CCOCC2)cc(-c2ccc3ncnc(NC4CC4)c3c2)c1.
What is the InChIKey of N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine?
The InChIKey is YTOXMZIFPRQGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-16(14-26-8-10-27-11-9-26)12-17(3-1)18-4-7-21-20(13-18)22(24-15-23-21)25-19-5-6-19/h1-4,7,12-13,15,19H,5-6,8-11,14H2,(H,23,24,25).
What are the key properties of N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine?
N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 68944579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).