N-(3-ethoxycyclobutyl)quinazolin-4-amine

C14H17N3O — CID 102609150

IUPACN-(3-ethoxycyclobutyl)quinazolin-4-amine
SMILESCCOC1CC(Nc2ncnc3ccccc23)C1
InChIInChI=1S/C14H17N3O/c1-2-18-11-7-10(8-11)17-14-12-5-3-4-6-13(12)15-9-16-14/h3-6,9-11H,2,7-8H2,1H3,(H,15,16,17)
InChIKeyNJVKVSNXHWAYAK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.61
Rot. Bonds4

About N-(3-ethoxycyclobutyl)quinazolin-4-amine

N-(3-ethoxycyclobutyl)quinazolin-4-amine (PubChem CID 102609150) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)quinazolin-4-amine
PubChem CID102609150
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(3-ethoxycyclobutyl)quinazolin-4-amine
SMILESCCOC1CC(Nc2ncnc3ccccc23)C1
InChIInChI=1S/C14H17N3O/c1-2-18-11-7-10(8-11)17-14-12-5-3-4-6-13(12)15-9-16-14/h3-6,9-11H,2,7-8H2,1H3,(H,15,16,17)
InChIKeyNJVKVSNXHWAYAK-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine
CID 103917632
N-(1-oxothian-4-yl)quinazolin-4-amine
CID 104576518
N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine
CID 143957231
N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile
CID 102609273
4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide
CID 61043396
N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine
CID 103765143
2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine
CID 114632712
N-(2,4-dimethylcyclohexyl)quinazolin-4-amine
CID 63994918
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 143957176
2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
CID 39165581
N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine
CID 106545829

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)quinazolin-4-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)quinazolin-4-amine (CID 102609150) is N-(3-ethoxycyclobutyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)quinazolin-4-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)quinazolin-4-amine is CCOC1CC(Nc2ncnc3ccccc23)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)quinazolin-4-amine?
The InChIKey is NJVKVSNXHWAYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-11-7-10(8-11)17-14-12-5-3-4-6-13(12)15-9-16-14/h3-6,9-11H,2,7-8H2,1H3,(H,15,16,17).
What are the key properties of N-(3-ethoxycyclobutyl)quinazolin-4-amine?
N-(3-ethoxycyclobutyl)quinazolin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)quinazolin-4-amine is sourced from PubChem (CID 102609150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).