3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline

C19H22N2 — CID 123755807

IUPAC3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline
SMILESCC1=NC2=CCCC=C2C(=C2CC2)N1CC1=CCCC=C1
InChIInChI=1S/C19H22N2/c1-14-20-18-10-6-5-9-17(18)19(16-11-12-16)21(14)13-15-7-3-2-4-8-15/h3,7-10H,2,4-6,11-13H2,1H3
InChIKeyGWIJYFKKUGYHKD-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.65
Rot. Bonds2

About 3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline

3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline (PubChem CID 123755807) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline.

Molecular Properties

Compound Name3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline
PubChem CID123755807
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline
SMILESCC1=NC2=CCCC=C2C(=C2CC2)N1CC1=CCCC=C1
InChIInChI=1S/C19H22N2/c1-14-20-18-10-6-5-9-17(18)19(16-11-12-16)21(14)13-15-7-3-2-4-8-15/h3,7-10H,2,4-6,11-13H2,1H3
InChIKeyGWIJYFKKUGYHKD-UHFFFAOYSA-N
XLogP4.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
CID 123161013
ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline
CID 142854301
3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine
CID 166819117
1,3,4,6-tetramethyl-3H-pyrido[1,2-c]pyrimidine
CID 174305651
6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine
CID 18740826
5,6-di(ethylidene)-1,2-dimethyl-4H-pyrimidine
CID 18740828
(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
CID 142511112
N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide
CID 145212764
1-[(3Z)-3-cyclohexa-2,4-dien-1-ylidenebut-1-en-2-yl]-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 156023756
3-ethyl-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidine
CID 160045445
(5Z)-2-ethenyl-6-ethylidene-3,4-dimethyl-5-(2-methylprop-2-enylidene)-4H-pyrimidine
CID 177343084

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline?
The IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline (CID 123755807) is 3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline.
What is the SMILES notation for 3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline?
The canonical SMILES for 3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline is CC1=NC2=CCCC=C2C(=C2CC2)N1CC1=CCCC=C1.
What is the InChIKey of 3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline?
The InChIKey is GWIJYFKKUGYHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-14-20-18-10-6-5-9-17(18)19(16-11-12-16)21(14)13-15-7-3-2-4-8-15/h3,7-10H,2,4-6,11-13H2,1H3.
What are the key properties of 3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline?
3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline has a molecular weight of 278.40 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline is sourced from PubChem (CID 123755807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).